4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine

C15H21ClN4S — CID 80780316

IUPAC4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(C)Cc2ccc(Cl)s2)c1C
InChIInChI=1S/C15H21ClN4S/c1-5-8-17-14-10(2)15(19-11(3)18-14)20(4)9-12-6-7-13(16)21-12/h6-7H,5,8-9H2,1-4H3,(H,17,18,19)
InChIKeyFSPQUMGXGMHCAM-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.27
Rot. Bonds6

About 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine

4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80780316) has the molecular formula C15H21ClN4S and a molecular weight of 324.88 g/mol. Its IUPAC name is 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80780316
Molecular FormulaC15H21ClN4S
Molecular Weight324.88 g/mol
Exact Mass324.12
IUPAC Name4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(C)Cc2ccc(Cl)s2)c1C
InChIInChI=1S/C15H21ClN4S/c1-5-8-17-14-10(2)15(19-11(3)18-14)20(4)9-12-6-7-13(16)21-12/h6-7H,5,8-9H2,1-4H3,(H,17,18,19)
InChIKeyFSPQUMGXGMHCAM-UHFFFAOYSA-N
XLogP4.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971305
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 106042449
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777604
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80779198
4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80939996
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N,5-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80799144
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811510
4-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987922

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80780316) is 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(N(C)Cc2ccc(Cl)s2)c1C.
What is the InChIKey of 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is FSPQUMGXGMHCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4S/c1-5-8-17-14-10(2)15(19-11(3)18-14)20(4)9-12-6-7-13(16)21-12/h6-7H,5,8-9H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 324.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80780316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).