4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

C19H29N7S — CID 172882310

IUPAC4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCSc1nc(C)c(C)c(N2CCCC(N(C)c3cc(N(C)C)ncn3)C2)n1
InChIInChI=1S/C19H29N7S/c1-13-14(2)22-19(27-6)23-18(13)26-9-7-8-15(11-26)25(5)17-10-16(24(3)4)20-12-21-17/h10,12,15H,7-9,11H2,1-6H3
InChIKeyXSQZHIFLHKIJQR-UHFFFAOYSA-N
MW387.56 g/mol
LogP2.78
Rot. Bonds5

About 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 172882310) has the molecular formula C19H29N7S and a molecular weight of 387.56 g/mol. Its IUPAC name is 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID172882310
Molecular FormulaC19H29N7S
Molecular Weight387.56 g/mol
Exact Mass387.22
IUPAC Name4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCSc1nc(C)c(C)c(N2CCCC(N(C)c3cc(N(C)C)ncn3)C2)n1
InChIInChI=1S/C19H29N7S/c1-13-14(2)22-19(27-6)23-18(13)26-9-7-8-15(11-26)25(5)17-10-16(24(3)4)20-12-21-17/h10,12,15H,7-9,11H2,1-6H3
InChIKeyXSQZHIFLHKIJQR-UHFFFAOYSA-N
XLogP2.78
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171997335
4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 171997086
4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171704985
N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881077
4-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-2-methylsulfanylpyrimidine
CID 163348045
N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 155974475
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171997841
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171994950
4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)piperidin-3-yl]pyrimidine-4,6-diamine
CID 171994661
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 171540166
5-bromo-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]benzonitrile
CID 171997781

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (CID 172882310) is 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is CSc1nc(C)c(C)c(N2CCCC(N(C)c3cc(N(C)C)ncn3)C2)n1.
What is the InChIKey of 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is XSQZHIFLHKIJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7S/c1-13-14(2)22-19(27-6)23-18(13)26-9-7-8-15(11-26)25(5)17-10-16(24(3)4)20-12-21-17/h10,12,15H,7-9,11H2,1-6H3.
What are the key properties of 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 387.56 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 172882310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).