6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine

C17H24N6O — CID 68563369

IUPAC6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(N(C)C)nc(N3CCNCC3)n2)c1
InChIInChI=1S/C17H24N6O/c1-22(2)16-12-15(19-13-5-4-6-14(11-13)24-3)20-17(21-16)23-9-7-18-8-10-23/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,20,21)
InChIKeyACOLVSANXWPPGQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.70
Rot. Bonds5

About 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine

6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine (PubChem CID 68563369) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine
PubChem CID68563369
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(N(C)C)nc(N3CCNCC3)n2)c1
InChIInChI=1S/C17H24N6O/c1-22(2)16-12-15(19-13-5-4-6-14(11-13)24-3)20-17(21-16)23-9-7-18-8-10-23/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,20,21)
InChIKeyACOLVSANXWPPGQ-UHFFFAOYSA-N
XLogP1.70
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)-6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863836
4-N,4-N-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-6-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 58863822
1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
CID 50748093
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
2-(4-benzylpiperazin-1-yl)-6-N-(4-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863852
6-N-(3-benzylphenyl)-4-N,4-N-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 58863796
4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 142666875
4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872251
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane
CID 142861908
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112898533
6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 20825593

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine (CID 68563369) is 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine is COc1cccc(Nc2cc(N(C)C)nc(N3CCNCC3)n2)c1.
What is the InChIKey of 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine?
The InChIKey is ACOLVSANXWPPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-22(2)16-12-15(19-13-5-4-6-14(11-13)24-3)20-17(21-16)23-9-7-18-8-10-23/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,20,21).
What are the key properties of 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine?
6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine has a molecular weight of 328.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 68563369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).