2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

C22H23FN4O — CID 135896092

IUPAC2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc(CN(C)[C@H](c3ccccn3)C3CC3)c2)[nH]c(=O)c1F
InChIInChI=1S/C22H23FN4O/c1-14-19(23)22(28)26-21(25-14)17-7-5-6-15(12-17)13-27(2)20(16-9-10-16)18-8-3-4-11-24-18/h3-8,11-12,16,20H,9-10,13H2,1-2H3,(H,25,26,28)/t20-/m0/s1
InChIKeyYWOLGCDHNFIXRE-FQEVSTJZSA-N
MW378.45 g/mol
LogP3.86
Rot. Bonds6

About 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 135896092) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID135896092
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc(CN(C)[C@H](c3ccccn3)C3CC3)c2)[nH]c(=O)c1F
InChIInChI=1S/C22H23FN4O/c1-14-19(23)22(28)26-21(25-14)17-7-5-6-15(12-17)13-27(2)20(16-9-10-16)18-8-3-4-11-24-18/h3-8,11-12,16,20H,9-10,13H2,1-2H3,(H,25,26,28)/t20-/m0/s1
InChIKeyYWOLGCDHNFIXRE-FQEVSTJZSA-N
XLogP3.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one
CID 95216100
2-[3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135882206
7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219462
8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109749
8-chloro-2-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109748
N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
CID 77098209
4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 131899290
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride
CID 154912594
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine
CID 125175859
3-[[2-[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]acetyl]amino]benzoic acid
CID 124750079
2-[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135890732
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 135896092) is 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2cccc(CN(C)[C@H](c3ccccn3)C3CC3)c2)[nH]c(=O)c1F.
What is the InChIKey of 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YWOLGCDHNFIXRE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-19(23)22(28)26-21(25-14)17-7-5-6-15(12-17)13-27(2)20(16-9-10-16)18-8-3-4-11-24-18/h3-8,11-12,16,20H,9-10,13H2,1-2H3,(H,25,26,28)/t20-/m0/s1.
What are the key properties of 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 378.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135896092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).