[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone

C20H21N7O — CID 95842312

IUPAC[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(C)nc(Nc2cc(C)nc(C3CN(C(=O)c4cccnc4)C3)n2)n1
InChIInChI=1S/C20H21N7O/c1-12-7-13(2)24-20(23-12)26-17-8-14(3)22-18(25-17)16-10-27(11-16)19(28)15-5-4-6-21-9-15/h4-9,16H,10-11H2,1-3H3,(H,22,23,24,25,26)
InChIKeyKOBMIWGFGCMGIZ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.57
Rot. Bonds4

About [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone

[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95842312) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95842312
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(C)nc(Nc2cc(C)nc(C3CN(C(=O)c4cccnc4)C3)n2)n1
InChIInChI=1S/C20H21N7O/c1-12-7-13(2)24-20(23-12)26-17-8-14(3)22-18(25-17)16-10-27(11-16)19(28)15-5-4-6-21-9-15/h4-9,16H,10-11H2,1-3H3,(H,22,23,24,25,26)
InChIKeyKOBMIWGFGCMGIZ-UHFFFAOYSA-N
XLogP2.57
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814604
cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95842373
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124949743
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240084
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110255878
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95821107
4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 95842295
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 118471028
(1R,5S)-N-propan-2-yl-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 133133397
[3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110240239

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone (CID 95842312) is [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone is Cc1cc(C)nc(Nc2cc(C)nc(C3CN(C(=O)c4cccnc4)C3)n2)n1.
What is the InChIKey of [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is KOBMIWGFGCMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-12-7-13(2)24-20(23-12)26-17-8-14(3)22-18(25-17)16-10-27(11-16)19(28)15-5-4-6-21-9-15/h4-9,16H,10-11H2,1-3H3,(H,22,23,24,25,26).
What are the key properties of [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone?
[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 375.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95842312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).