6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride

C44H67Cl4N15O4 — CID 159705395

IUPAC6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride
SMILESCN.CNc1cc(Cl)nc(C)n1.CNc1cc(Nc2cc(OCCCN3CCCC3)c(OC)cn2)nc(C)n1.COc1cnc(N)cc1OCCCN1CCCC1.Cc1nc(Cl)cc(Cl)n1.Cl
InChIInChI=1S/C19H28N6O2.C13H21N3O2.C6H8ClN3.C5H4Cl2N2.CH5N.ClH/c1-14-22-17(20-2)12-19(23-14)24-18-11-15(16(26-3)13-21-18)27-10-6-9-25-7-4-5-8-25;1-17-12-10-15-13(14)9-11(12)18-8-4-7-16-5-2-3-6-16;1-4-9-5(7)3-6(8-2)10-4;1-3-8-4(6)2-5(7)9-3;1-2;/h11-13H,4-10H2,1-3H3,(H2,20,21,22,23,24);9-10H,2-8H2,1H3,(H2,14,15);3H,1-2H3,(H,8,9,10);2H,1H3;2H2,1H3;1H
InChIKeyWYOUDJRTUROQMJ-UHFFFAOYSA-N
MW1011.93 g/mol
LogP7.94
Rot. Bonds16

About 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride

6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride (PubChem CID 159705395) has the molecular formula C44H67Cl4N15O4 and a molecular weight of 1011.93 g/mol. Its IUPAC name is 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride
PubChem CID159705395
Molecular FormulaC44H67Cl4N15O4
Molecular Weight1011.93 g/mol
Exact Mass1009.43
IUPAC Name6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride
SMILESCN.CNc1cc(Cl)nc(C)n1.CNc1cc(Nc2cc(OCCCN3CCCC3)c(OC)cn2)nc(C)n1.COc1cnc(N)cc1OCCCN1CCCC1.Cc1nc(Cl)cc(Cl)n1.Cl
InChIInChI=1S/C19H28N6O2.C13H21N3O2.C6H8ClN3.C5H4Cl2N2.CH5N.ClH/c1-14-22-17(20-2)12-19(23-14)24-18-11-15(16(26-3)13-21-18)27-10-6-9-25-7-4-5-8-25;1-17-12-10-15-13(14)9-11(12)18-8-4-7-16-5-2-3-6-16;1-4-9-5(7)3-6(8-2)10-4;1-3-8-4(6)2-5(7)9-3;1-2;/h11-13H,4-10H2,1-3H3,(H2,20,21,22,23,24);9-10H,2-8H2,1H3,(H2,14,15);3H,1-2H3,(H,8,9,10);2H,1H3;2H2,1H3;1H
InChIKeyWYOUDJRTUROQMJ-UHFFFAOYSA-N
XLogP7.94
TPSA234.65 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.93
LogP ≤ 57.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride?
The IUPAC name of 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride (CID 159705395) is 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride.
What is the SMILES notation for 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride?
The canonical SMILES for 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride is CN.CNc1cc(Cl)nc(C)n1.CNc1cc(Nc2cc(OCCCN3CCCC3)c(OC)cn2)nc(C)n1.COc1cnc(N)cc1OCCCN1CCCC1.Cc1nc(Cl)cc(Cl)n1.Cl.
What is the InChIKey of 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride?
The InChIKey is WYOUDJRTUROQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.C13H21N3O2.C6H8ClN3.C5H4Cl2N2.CH5N.ClH/c1-14-22-17(20-2)12-19(23-14)24-18-11-15(16(26-3)13-21-18)27-10-6-9-25-7-4-5-8-25;1-17-12-10-15-13(14)9-11(12)18-8-4-7-16-5-2-3-6-16;1-4-9-5(7)3-6(8-2)10-4;1-3-8-4(6)2-5(7)9-3;1-2;/h11-13H,4-10H2,1-3H3,(H2,20,21,22,23,24);9-10H,2-8H2,1H3,(H2,14,15);3H,1-2H3,(H,8,9,10);2H,1H3;2H2,1H3;1H.
What are the key properties of 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride?
6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride has a molecular weight of 1011.93 g/mol, XLogP of 7.94, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethylpyrimidin-4-amine;4,6-dichloro-2-methylpyrimidine;methanamine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;4-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-N,2-dimethylpyrimidine-4,6-diamine;hydrochloride is sourced from PubChem (CID 159705395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).