4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C14H13ClFN3 — CID 82461111

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESFc1ccc(CNc2nc(Cl)c3c(n2)CCC3)cc1
InChIInChI=1S/C14H13ClFN3/c15-13-11-2-1-3-12(11)18-14(19-13)17-8-9-4-6-10(16)7-5-9/h4-7H,1-3,8H2,(H,17,18,19)
InChIKeyGYWGCGWSXUYZNY-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.37
Rot. Bonds3

About 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 82461111) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID82461111
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESFc1ccc(CNc2nc(Cl)c3c(n2)CCC3)cc1
InChIInChI=1S/C14H13ClFN3/c15-13-11-2-1-3-12(11)18-14(19-13)17-8-9-4-6-10(16)7-5-9/h4-7H,1-3,8H2,(H,17,18,19)
InChIKeyGYWGCGWSXUYZNY-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 61382204
4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 94674649
4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 94674065
3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol
CID 82461101
4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461125
2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50801502
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800751
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94674630
4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 89343072
N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 175457647
2-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611942
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 82461111) is 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is Fc1ccc(CNc2nc(Cl)c3c(n2)CCC3)cc1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is GYWGCGWSXUYZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3/c15-13-11-2-1-3-12(11)18-14(19-13)17-8-9-4-6-10(16)7-5-9/h4-7H,1-3,8H2,(H,17,18,19).
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 277.73 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 82461111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).