1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one

C19H22N4O — CID 97318490

IUPAC1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](Nc1ncnc2c1CCC2)c1ccccc1
InChIInChI=1S/C19H22N4O/c24-18-10-5-11-23(18)12-17(14-6-2-1-3-7-14)22-19-15-8-4-9-16(15)20-13-21-19/h1-3,6-7,13,17H,4-5,8-12H2,(H,20,21,22)/t17-/m0/s1
InChIKeyOZSNFVYQCTYWLY-KRWDZBQOSA-N
MW322.41 g/mol
LogP2.74
Rot. Bonds5

About 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one

1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one (PubChem CID 97318490) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one
PubChem CID97318490
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](Nc1ncnc2c1CCC2)c1ccccc1
InChIInChI=1S/C19H22N4O/c24-18-10-5-11-23(18)12-17(14-6-2-1-3-7-14)22-19-15-8-4-9-16(15)20-13-21-19/h1-3,6-7,13,17H,4-5,8-12H2,(H,20,21,22)/t17-/m0/s1
InChIKeyOZSNFVYQCTYWLY-KRWDZBQOSA-N
XLogP2.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one (CID 97318490) is 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one is O=C1CCCN1C[C@H](Nc1ncnc2c1CCC2)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one?
The InChIKey is OZSNFVYQCTYWLY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18-10-5-11-23(18)12-17(14-6-2-1-3-7-14)22-19-15-8-4-9-16(15)20-13-21-19/h1-3,6-7,13,17H,4-5,8-12H2,(H,20,21,22)/t17-/m0/s1.
What are the key properties of 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one?
1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 97318490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).