N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

C16H22N6S — CID 172881077

IUPACN-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCSc1nc(C)c(C)c(N2CCC(Nc3cc(C)ncn3)C2)n1
InChIInChI=1S/C16H22N6S/c1-10-7-14(18-9-17-10)20-13-5-6-22(8-13)15-11(2)12(3)19-16(21-15)23-4/h7,9,13H,5-6,8H2,1-4H3,(H,17,18,20)
InChIKeyOYKMCBZFGZIHCC-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.60
Rot. Bonds4

About N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 172881077) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID172881077
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC NameN-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCSc1nc(C)c(C)c(N2CCC(Nc3cc(C)ncn3)C2)n1
InChIInChI=1S/C16H22N6S/c1-10-7-14(18-9-17-10)20-13-5-6-22(8-13)15-11(2)12(3)19-16(21-15)23-4/h7,9,13H,5-6,8H2,1-4H3,(H,17,18,20)
InChIKeyOYKMCBZFGZIHCC-UHFFFAOYSA-N
XLogP2.60
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine 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

N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172880905
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994184
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600
N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881074
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994309
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
6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993855
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
4-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-2-methylsulfanylpyrimidine
CID 163348045
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (CID 172881077) is N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is CSc1nc(C)c(C)c(N2CCC(Nc3cc(C)ncn3)C2)n1.
What is the InChIKey of N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is OYKMCBZFGZIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-10-7-14(18-9-17-10)20-13-5-6-22(8-13)15-11(2)12(3)19-16(21-15)23-4/h7,9,13H,5-6,8H2,1-4H3,(H,17,18,20).
What are the key properties of N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 330.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 172881077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).