N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine

C17H24N6S — CID 155974475

IUPACN,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
SMILESCSc1nc(C)cc(N2CCCC(N(C)c3ncc(C)cn3)C2)n1
InChIInChI=1S/C17H24N6S/c1-12-9-18-16(19-10-12)22(3)14-6-5-7-23(11-14)15-8-13(2)20-17(21-15)24-4/h8-10,14H,5-7,11H2,1-4H3
InChIKeyPSAMFIKFWBQLOC-UHFFFAOYSA-N
MW344.49 g/mol
LogP2.71
Rot. Bonds4

About N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine

N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 155974475) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID155974475
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC NameN,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
SMILESCSc1nc(C)cc(N2CCCC(N(C)c3ncc(C)cn3)C2)n1
InChIInChI=1S/C17H24N6S/c1-12-9-18-16(19-10-12)22(3)14-6-5-7-23(11-14)15-8-13(2)20-17(21-15)24-4/h8-10,14H,5-7,11H2,1-4H3
InChIKeyPSAMFIKFWBQLOC-UHFFFAOYSA-N
XLogP2.71
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,1,3-trimethyl-3-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603402
N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155974400
[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 155981854
2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671
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
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744
4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine
CID 171327993
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172899637
N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 172880710
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 171326447
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
CID 138022659

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine (CID 155974475) is N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine is CSc1nc(C)cc(N2CCCC(N(C)c3ncc(C)cn3)C2)n1.
What is the InChIKey of N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is PSAMFIKFWBQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S/c1-12-9-18-16(19-10-12)22(3)14-6-5-7-23(11-14)15-8-13(2)20-17(21-15)24-4/h8-10,14H,5-7,11H2,1-4H3.
What are the key properties of N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 344.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 155974475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).