(2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide

C17H20ClFN4O — CID 166823706

IUPAC(2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide
SMILESC[C@H](C(=O)NC1=CC=CC(F)C1)N(C)c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C17H20ClFN4O/c1-10(16(24)20-12-6-3-5-11(19)9-12)23(2)15-13-7-4-8-14(13)21-17(18)22-15/h3,5-6,10-11H,4,7-9H2,1-2H3,(H,20,24)/t10-,11?/m1/s1
InChIKeyUKOSXFSZTLEAEP-NFJWQWPMSA-N
MW350.83 g/mol
LogP2.74
Rot. Bonds4

About (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide

(2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide (PubChem CID 166823706) has the molecular formula C17H20ClFN4O and a molecular weight of 350.83 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide
PubChem CID166823706
Molecular FormulaC17H20ClFN4O
Molecular Weight350.83 g/mol
Exact Mass350.13
IUPAC Name(2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide
SMILESC[C@H](C(=O)NC1=CC=CC(F)C1)N(C)c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C17H20ClFN4O/c1-10(16(24)20-12-6-3-5-11(19)9-12)23(2)15-13-7-4-8-14(13)21-17(18)22-15/h3,5-6,10-11H,4,7-9H2,1-2H3,(H,20,24)/t10-,11?/m1/s1
InChIKeyUKOSXFSZTLEAEP-NFJWQWPMSA-N
XLogP2.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide?
The IUPAC name of (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide (CID 166823706) is (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide?
The canonical SMILES for (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide is C[C@H](C(=O)NC1=CC=CC(F)C1)N(C)c1nc(Cl)nc2c1CCC2.
What is the InChIKey of (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide?
The InChIKey is UKOSXFSZTLEAEP-NFJWQWPMSA-N. The full InChI is InChI=1S/C17H20ClFN4O/c1-10(16(24)20-12-6-3-5-11(19)9-12)23(2)15-13-7-4-8-14(13)21-17(18)22-15/h3,5-6,10-11H,4,7-9H2,1-2H3,(H,20,24)/t10-,11?/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide?
(2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide has a molecular weight of 350.83 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(5-fluorocyclohexa-1,3-dien-1-yl)propanamide is sourced from PubChem (CID 166823706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).