[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone

C19H24N6O — CID 56901001

IUPAC[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC(c2ccccn2)C1
InChIInChI=1S/C19H24N6O/c1-14-16(11-21-19(22-14)24-9-7-23(2)8-10-24)18(26)25-12-15(13-25)17-5-3-4-6-20-17/h3-6,11,15H,7-10,12-13H2,1-2H3
InChIKeyWPADFYZZHNSYFW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.17
Rot. Bonds3

About [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone

[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone (PubChem CID 56901001) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
PubChem CID56901001
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC(c2ccccn2)C1
InChIInChI=1S/C19H24N6O/c1-14-16(11-21-19(22-14)24-9-7-23(2)8-10-24)18(26)25-12-15(13-25)17-5-3-4-6-20-17/h3-6,11,15H,7-10,12-13H2,1-2H3
InChIKeyWPADFYZZHNSYFW-UHFFFAOYSA-N
XLogP1.17
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one
CID 74232399
(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-[4-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 135144580
[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 46345558
(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74235155
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 126446397
N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345531
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959527
(3S,4S)-4-cyclopropyl-1-(4-methyl-2-piperidin-1-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72869164
[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110219727
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid
CID 119061488

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone (CID 56901001) is [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone is Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC(c2ccccn2)C1.
What is the InChIKey of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The InChIKey is WPADFYZZHNSYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14-16(11-21-19(22-14)24-9-7-23(2)8-10-24)18(26)25-12-15(13-25)17-5-3-4-6-20-17/h3-6,11,15H,7-10,12-13H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 56901001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).