N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide

C15H20N4O2 — CID 110202527

IUPACN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
SMILESO=C(N[C@@H]1CN(c2ncccn2)C[C@H]1CO)C1CC=CC1
InChIInChI=1S/C15H20N4O2/c20-10-12-8-19(15-16-6-3-7-17-15)9-13(12)18-14(21)11-4-1-2-5-11/h1-3,6-7,11-13,20H,4-5,8-10H2,(H,18,21)/t12-,13+/m0/s1
InChIKeyHCMHQSOKMPSWQD-QWHCGFSZSA-N
MW288.35 g/mol
LogP0.36
Rot. Bonds4

About N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide

N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide (PubChem CID 110202527) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
PubChem CID110202527
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
SMILESO=C(N[C@@H]1CN(c2ncccn2)C[C@H]1CO)C1CC=CC1
InChIInChI=1S/C15H20N4O2/c20-10-12-8-19(15-16-6-3-7-17-15)9-13(12)18-14(21)11-4-1-2-5-11/h1-3,6-7,11-13,20H,4-5,8-10H2,(H,18,21)/t12-,13+/m0/s1
InChIKeyHCMHQSOKMPSWQD-QWHCGFSZSA-N
XLogP0.36
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol
CID 110202608
N~1~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-YL]-3-cyclohexene-1-carboxamide
CID 91923169
3-(2-Hydroxyethyl)-N-(propan-2-YL)-1-(pyrimidin-2-YL)pyrrolidine-3-carboxamide
CID 91911490
N-Cyclopentyl-3-(2-hydroxyethyl)-1-(pyrimidin-2-YL)pyrrolidine-3-carboxamide
CID 91911497
N~3~-[2-(1-Cyclohexenyl)ethyl]-3-(2-hydroxyethyl)-1-(2-pyrimidinyl)-3-pyrrolidinecarboxamide
CID 91923633
2-(cyclohexen-1-yl)-N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide
CID 110202491
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-4-ylpyrrolidin-3-yl]-3-methoxypropanamide
CID 124049573
N~1~-[(3S,4R)-4-(Hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-YL]-1-cyclopentanecarboxamide
CID 124049576
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-4-ylpyrrolidin-3-yl]-2,2-dimethylbutanamide
CID 124049588
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1-methylpiperidine-4-carboxamide
CID 124049716
2-ethoxy-N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]acetamide
CID 124049832
(3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 99764365

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide (CID 110202527) is N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide is O=C(N[C@@H]1CN(c2ncccn2)C[C@H]1CO)C1CC=CC1.
What is the InChIKey of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide?
The InChIKey is HCMHQSOKMPSWQD-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-10-12-8-19(15-16-6-3-7-17-15)9-13(12)18-14(21)11-4-1-2-5-11/h1-3,6-7,11-13,20H,4-5,8-10H2,(H,18,21)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide?
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 110202527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).