N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine

C13H16N6 — CID 95847255

IUPACN,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine
SMILESCNc1cc([C@@H]2CCN2c2ncccn2)nc(C)n1
InChIInChI=1S/C13H16N6/c1-9-17-10(8-12(14-2)18-9)11-4-7-19(11)13-15-5-3-6-16-13/h3,5-6,8,11H,4,7H2,1-2H3,(H,14,17,18)/t11-/m0/s1
InChIKeyOWUSRPSXCGNRKP-NSHDSACASA-N
MW256.31 g/mol
LogP1.57
Rot. Bonds3

About N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine

N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine (PubChem CID 95847255) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine
PubChem CID95847255
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine
SMILESCNc1cc([C@@H]2CCN2c2ncccn2)nc(C)n1
InChIInChI=1S/C13H16N6/c1-9-17-10(8-12(14-2)18-9)11-4-7-19(11)13-15-5-3-6-16-13/h3,5-6,8,11H,4,7H2,1-2H3,(H,14,17,18)/t11-/m0/s1
InChIKeyOWUSRPSXCGNRKP-NSHDSACASA-N
XLogP1.57
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124986346
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
CID 95842576
N,2-dimethyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 110257007
N,2-dimethyl-6-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124979116
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine
CID 125012503
3-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256794
2-methyl-N-(3-methyl-2-pyridinyl)-6-[1-(2-methylpyrimidin-4-yl)azetidin-2-yl]pyrimidin-4-amine
CID 110270296
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 110113647
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110113668
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
CID 95847400
[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
CID 95847399

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine (CID 95847255) is N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine is CNc1cc([C@@H]2CCN2c2ncccn2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine?
The InChIKey is OWUSRPSXCGNRKP-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N6/c1-9-17-10(8-12(14-2)18-9)11-4-7-19(11)13-15-5-3-6-16-13/h3,5-6,8,11H,4,7H2,1-2H3,(H,14,17,18)/t11-/m0/s1.
What are the key properties of N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine?
N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine has a molecular weight of 256.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95847255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).