N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine

C17H24N6S — CID 72915034

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
SMILESCSc1nccc(N2CCC(NCc3nc(C)cc(C)n3)CC2)n1
InChIInChI=1S/C17H24N6S/c1-12-10-13(2)21-15(20-12)11-19-14-5-8-23(9-6-14)16-4-7-18-17(22-16)24-3/h4,7,10,14,19H,5-6,8-9,11H2,1-3H3
InChIKeyCREZPHYXCNQRJN-UHFFFAOYSA-N
MW344.49 g/mol
LogP2.36
Rot. Bonds5

About N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72915034) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72915034
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
SMILESCSc1nccc(N2CCC(NCc3nc(C)cc(C)n3)CC2)n1
InChIInChI=1S/C17H24N6S/c1-12-10-13(2)21-15(20-12)11-19-14-5-8-23(9-6-14)16-4-7-18-17(22-16)24-3/h4,7,10,14,19H,5-6,8-9,11H2,1-3H3
InChIKeyCREZPHYXCNQRJN-UHFFFAOYSA-N
XLogP2.36
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine with MolForge

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Related Compounds

N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
CID 97197651
1-(2-methylsulfanylpyrimidin-4-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 97188941
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
CID 97209906
(2S)-3-cyclohexyl-2-[[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
CID 72921817
6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993855
N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649144
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 165433739
4-[[methyl-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzonitrile
CID 91810394
2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605956
2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154583173
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328377
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 155975756

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine (CID 72915034) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine is CSc1nccc(N2CCC(NCc3nc(C)cc(C)n3)CC2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is CREZPHYXCNQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S/c1-12-10-13(2)21-15(20-12)11-19-14-5-8-23(9-6-14)16-4-7-18-17(22-16)24-3/h4,7,10,14,19H,5-6,8-9,11H2,1-3H3.
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 344.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72915034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).