2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C14H14FN3O — CID 136741463

IUPAC2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1ccc(F)cc1Nc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H14FN3O/c1-8-5-6-9(15)7-12(8)17-14-16-11-4-2-3-10(11)13(19)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18,19)
InChIKeyNMJFOGFLDNGSPV-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.45
Rot. Bonds2

About 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136741463) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136741463
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1ccc(F)cc1Nc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H14FN3O/c1-8-5-6-9(15)7-12(8)17-14-16-11-4-2-3-10(11)13(19)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18,19)
InChIKeyNMJFOGFLDNGSPV-UHFFFAOYSA-N
XLogP2.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluoroanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741476
2-[4-(diethylamino)-2-methylanilino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779228
2-(2,3-dimethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611964
2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611958
2-[(5-fluoro-2-pyridinyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136741530
2-(3-chloro-2-fluoroanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136741513
2-(3-fluoro-4-methoxyanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741489
2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611951
2-(4-ethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611961
2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611977
2-(2,4-difluoroanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779279
2-[3-(dimethylamino)anilino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136780088

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136741463) is 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1ccc(F)cc1Nc1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is NMJFOGFLDNGSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-5-6-9(15)7-12(8)17-14-16-11-4-2-3-10(11)13(19)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 259.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylanilino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136741463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).