2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)

C77H94Cl5N13P2PdSn — CID 160707887

IUPAC2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)c1ncccn1.CNC.Cc1cnc(-c2ncccn2)nc1N(C)C.Cc1cnc(Cl)nc1Cl.Cc1cnc(Cl)nc1N(C)C.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C11H13N5.C7H10ClN3.C5H4Cl2N2.C4H3N2.3C4H9.C2H7N.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-7-14-10(15-11(8)16(2)3)9-12-5-4-6-13-9;1-5-4-9-7(8)10-6(5)11(2)3;1-3-2-8-5(7)9-4(3)6;1-2-5-4-6-3-1;3*1-3-4-2;1-3-2;;;;/h2*1-15H;4-7H,1-3H3;4H,1-3H3;2H,1H3;1-3H;3*1,3-4H2,2H3;3H,1-2H3;2*1H;;/q;;;;;;;;;;;;+2;/p-2
InChIKeyRRLVLSRZYWYTEU-UHFFFAOYSA-L
MW1666.03 g/mol
LogP17.54
Rot. Bonds19

About 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)

2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane) (PubChem CID 160707887) has the molecular formula C77H94Cl5N13P2PdSn and a molecular weight of 1666.03 g/mol. Its IUPAC name is 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane).

Molecular Properties

Compound Name2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)
PubChem CID160707887
Molecular FormulaC77H94Cl5N13P2PdSn
Molecular Weight1666.03 g/mol
Exact Mass1663.37
IUPAC Name2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)c1ncccn1.CNC.Cc1cnc(-c2ncccn2)nc1N(C)C.Cc1cnc(Cl)nc1Cl.Cc1cnc(Cl)nc1N(C)C.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C11H13N5.C7H10ClN3.C5H4Cl2N2.C4H3N2.3C4H9.C2H7N.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-7-14-10(15-11(8)16(2)3)9-12-5-4-6-13-9;1-5-4-9-7(8)10-6(5)11(2)3;1-3-2-8-5(7)9-4(3)6;1-2-5-4-6-3-1;3*1-3-4-2;1-3-2;;;;/h2*1-15H;4-7H,1-3H3;4H,1-3H3;2H,1H3;1-3H;3*1,3-4H2,2H3;3H,1-2H3;2*1H;;/q;;;;;;;;;;;;+2;/p-2
InChIKeyRRLVLSRZYWYTEU-UHFFFAOYSA-L
XLogP17.54
TPSA147.41 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.03
LogP ≤ 517.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane) with MolForge

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Related Compounds

N-benzhydryl-6-(4-benzylpiperazin-1-yl)pyrimidin-4-amine;bis(4-(4-benzylpiperazin-1-yl)-6-chloropyrimidine);4,6-dichloropyrimidine
CID 157179699
carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)
CID 159872087
2-[(3R)-3-methylpiperazin-1-yl]-5-pyrimidin-2-ylpyrazine;palladium;tributyl(pyrimidin-2-yl)stannane;tetrakis(triphenylphosphane)
CID 159872174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)?
The IUPAC name of 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane) (CID 160707887) is 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane).
What is the SMILES notation for 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)?
The canonical SMILES for 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane) is CCCC[Sn](CCCC)(CCCC)c1ncccn1.CNC.Cc1cnc(-c2ncccn2)nc1N(C)C.Cc1cnc(Cl)nc1Cl.Cc1cnc(Cl)nc1N(C)C.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)?
The InChIKey is RRLVLSRZYWYTEU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C11H13N5.C7H10ClN3.C5H4Cl2N2.C4H3N2.3C4H9.C2H7N.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-7-14-10(15-11(8)16(2)3)9-12-5-4-6-13-9;1-5-4-9-7(8)10-6(5)11(2)3;1-3-2-8-5(7)9-4(3)6;1-2-5-4-6-3-1;3*1-3-4-2;1-3-2;;;;/h2*1-15H;4-7H,1-3H3;4H,1-3H3;2H,1H3;1-3H;3*1,3-4H2,2H3;3H,1-2H3;2*1H;;/q;;;;;;;;;;;;+2;/p-2.
What are the key properties of 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane)?
2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane) has a molecular weight of 1666.03 g/mol, XLogP of 17.54, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N,5-trimethylpyrimidin-4-amine;2,4-dichloro-5-methylpyrimidine;dichloropalladium;N-methylmethanamine;tributyl(pyrimidin-2-yl)stannane;N,N,5-trimethyl-2-pyrimidin-2-ylpyrimidin-4-amine;bis(triphenylphosphane) is sourced from PubChem (CID 160707887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).