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

C18H19ClFN3 — CID 87214187

IUPAC(7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFc1ccc([C@H]2CCc3c(NCCC4CC4)nc(Cl)nc32)cc1
InChIInChI=1S/C18H19ClFN3/c19-18-22-16-14(12-3-5-13(20)6-4-12)7-8-15(16)17(23-18)21-10-9-11-1-2-11/h3-6,11,14H,1-2,7-10H2,(H,21,22,23)/t14-/m1/s1
InChIKeyRBNMDNNNSPPWQW-CQSZACIVSA-N
MW331.82 g/mol
LogP4.56
Rot. Bonds5

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

(7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 87214187) has the molecular formula C18H19ClFN3 and a molecular weight of 331.82 g/mol. Its IUPAC name is (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name(7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID87214187
Molecular FormulaC18H19ClFN3
Molecular Weight331.82 g/mol
Exact Mass331.13
IUPAC Name(7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFc1ccc([C@H]2CCc3c(NCCC4CC4)nc(Cl)nc32)cc1
InChIInChI=1S/C18H19ClFN3/c19-18-22-16-14(12-3-5-13(20)6-4-12)7-8-15(16)17(23-18)21-10-9-11-1-2-11/h3-6,11,14H,1-2,7-10H2,(H,21,22,23)/t14-/m1/s1
InChIKeyRBNMDNNNSPPWQW-CQSZACIVSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Related Compounds

2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
9-phenyl-4-(piperazin-1-yl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-amine
CID 25129169
5-(4-((3,5-Difluorobenzyl)amino)phenyl)-6-ethylpyrimidine-2,4-diamine
CID 6914633
2-cyclopentyl-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062782
2-benzyl-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062788
4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062912
4-(Piperazin-1-yl)-5H-indeno[1,2-d]pyrimidin-2-amine
CID 25128823
2-(Butan-2-yl)-4-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16062139
2-Cyclobutyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16062143
2-Cyclopropyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16062145
2-Cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16062270
4-(4-Fluorophenyl)-2-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16062651

Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 87214187) is (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Fc1ccc([C@H]2CCc3c(NCCC4CC4)nc(Cl)nc32)cc1.
What is the InChIKey of (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is RBNMDNNNSPPWQW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19ClFN3/c19-18-22-16-14(12-3-5-13(20)6-4-12)7-8-15(16)17(23-18)21-10-9-11-1-2-11/h3-6,11,14H,1-2,7-10H2,(H,21,22,23)/t14-/m1/s1.
What are the key properties of (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
(7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 331.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-N-(2-cyclopropylethyl)-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 87214187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).