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

C14H13ClFN3 — CID 124561633

IUPAC(7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CC[C@H]2c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3/c1-17-13-11-7-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1
InChIKeyFVGQQDRDKQCPRD-JTQLQIEISA-N
MW277.73 g/mol
LogP3.39
Rot. Bonds2

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

(7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 124561633) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name(7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID124561633
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name(7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CC[C@H]2c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3/c1-17-13-11-7-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1
InChIKeyFVGQQDRDKQCPRD-JTQLQIEISA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
2,4-Pyrimidinediamine, 6-methyl-5-(3-phenylpropyl)-
CID 308637
6-Ethyl-5-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 13926967
2-cyclopentyl-4-(4-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062781
4-(4-fluorophenyl)-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062785
N-methyl-2-(1-phenylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 59312249
4-N-butyl-5-[3-(1,3-dihydroisoindol-2-yl)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271017
4-N-butyl-6-methyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 135271032
4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine
CID 135271042

Frequently Asked Questions

What is the IUPAC name of (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 124561633) is (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1CC[C@H]2c1ccc(F)cc1.
What is the InChIKey of (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is FVGQQDRDKQCPRD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClFN3/c1-17-13-11-7-6-10(12(11)18-14(15)19-13)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
(7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 277.73 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-chloro-7-(4-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 124561633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).