N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide

C14H18F2N4O — CID 175648123

IUPACN-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide
SMILESCc1nc2c(c(N3CC(C(=O)NCC(F)F)C3)n1)CCC2
InChIInChI=1S/C14H18F2N4O/c1-8-18-11-4-2-3-10(11)13(19-8)20-6-9(7-20)14(21)17-5-12(15)16/h9,12H,2-7H2,1H3,(H,17,21)
InChIKeyVBKDBEXNIPHALY-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.09
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide

N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 175648123) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID175648123
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide
SMILESCc1nc2c(c(N3CC(C(=O)NCC(F)F)C3)n1)CCC2
InChIInChI=1S/C14H18F2N4O/c1-8-18-11-4-2-3-10(11)13(19-8)20-6-9(7-20)14(21)17-5-12(15)16/h9,12H,2-7H2,1H3,(H,17,21)
InChIKeyVBKDBEXNIPHALY-UHFFFAOYSA-N
XLogP1.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylimidazol-4-yl)methanone
CID 155976843
2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 155976790
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-4-yl)methanone
CID 155976842
(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
CID 133461027
N-[(2S)-2-hydroxypropyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 25447505
6-methyl-3-[2-[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]pyrimidin-4-one
CID 155976871
1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide
CID 175648192
[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
1-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 91817882

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide (CID 175648123) is N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide is Cc1nc2c(c(N3CC(C(=O)NCC(F)F)C3)n1)CCC2.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is VBKDBEXNIPHALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-8-18-11-4-2-3-10(11)13(19-8)20-6-9(7-20)14(21)17-5-12(15)16/h9,12H,2-7H2,1H3,(H,17,21).
What are the key properties of N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide?
N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 175648123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).