2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C20H18ClFN4 — CID 21104316

IUPAC2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2
InChIInChI=1S/C20H18ClFN4/c1-11-3-6-17-18(11)20(24-16-7-8-23-10-12(16)2)26-19(25-17)14-9-13(21)4-5-15(14)22/h4-5,7-11H,3,6H2,1-2H3,(H,23,24,25,26)
InChIKeyYKQNYPXLWCQMMO-UHFFFAOYSA-N
MW368.84 g/mol
LogP5.43
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 21104316) has the molecular formula C20H18ClFN4 and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID21104316
Molecular FormulaC20H18ClFN4
Molecular Weight368.84 g/mol
Exact Mass368.12
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2
InChIInChI=1S/C20H18ClFN4/c1-11-3-6-17-18(11)20(24-16-7-8-23-10-12(16)2)26-19(25-17)14-9-13(21)4-5-15(14)22/h4-5,7-11H,3,6H2,1-2H3,(H,23,24,25,26)
InChIKeyYKQNYPXLWCQMMO-UHFFFAOYSA-N
XLogP5.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.84
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 21104316) is 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is YKQNYPXLWCQMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4/c1-11-3-6-17-18(11)20(24-16-7-8-23-10-12(16)2)26-19(25-17)14-9-13(21)4-5-15(14)22/h4-5,7-11H,3,6H2,1-2H3,(H,23,24,25,26).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 368.84 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 21104316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).