6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine

C18H25ClN6 — CID 22546729

IUPAC6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2N)cc1Cl
InChIInChI=1S/C18H25ClN6/c1-12-4-5-13(10-15(12)19)23-17-16(20)18(22-11-21-17)25(3)14-6-8-24(2)9-7-14/h4-5,10-11,14H,6-9,20H2,1-3H3,(H,21,22,23)
InChIKeyHKEVULHEOMPDDK-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.29
Rot. Bonds4

About 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine

6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine (PubChem CID 22546729) has the molecular formula C18H25ClN6 and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
PubChem CID22546729
Molecular FormulaC18H25ClN6
Molecular Weight360.89 g/mol
Exact Mass360.18
IUPAC Name6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2N)cc1Cl
InChIInChI=1S/C18H25ClN6/c1-12-4-5-13(10-15(12)19)23-17-16(20)18(22-11-21-17)25(3)14-6-8-24(2)9-7-14/h4-5,10-11,14H,6-9,20H2,1-3H3,(H,21,22,23)
InChIKeyHKEVULHEOMPDDK-UHFFFAOYSA-N
XLogP3.29
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(4-iodophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148960
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19153784
1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547538
6-N-[(2-chlorophenyl)methyl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19154041
4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19144124
6-N-(2-methoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148204
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19150322
6-hydrazinyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 80927908
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151567
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
6-N-(3-chloro-4-methylphenyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22546620
6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22546640

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine (CID 22546729) is 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2N)cc1Cl.
What is the InChIKey of 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The InChIKey is HKEVULHEOMPDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6/c1-12-4-5-13(10-15(12)19)23-17-16(20)18(22-11-21-17)25(3)14-6-8-24(2)9-7-14/h4-5,10-11,14H,6-9,20H2,1-3H3,(H,21,22,23).
What are the key properties of 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine has a molecular weight of 360.89 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22546729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).