2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide

C14H17N3O2 — CID 111696969

IUPAC2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccnc(C2CC2)n1
InChIInChI=1S/C14H17N3O2/c18-8-9-1-4-11(7-9)16-14(19)12-5-6-15-13(17-12)10-2-3-10/h1,4-6,9-11,18H,2-3,7-8H2,(H,16,19)/t9-,11+/m0/s1
InChIKeyMSSAMPLYWVRHAB-GXSJLCMTSA-N
MW259.31 g/mol
LogP1.02
Rot. Bonds4

About 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide

2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide (PubChem CID 111696969) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide
PubChem CID111696969
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccnc(C2CC2)n1
InChIInChI=1S/C14H17N3O2/c18-8-9-1-4-11(7-9)16-14(19)12-5-6-15-13(17-12)10-2-3-10/h1,4-6,9-11,18H,2-3,7-8H2,(H,16,19)/t9-,11+/m0/s1
InChIKeyMSSAMPLYWVRHAB-GXSJLCMTSA-N
XLogP1.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 125146588
CID 125146588
CID 138023749
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CID 124095528
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CID 140726356
CID 140726356
CID 138035361
CID 138035361
CID 54283086
CID 54283086
CID 58296114
CID 58296114
CID 69144390
CID 69144390
CID 91223686
CID 91223686
CID 126987986
CID 126987986
CID 130849099
CID 130849099
CID 134570493
CID 134570493

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide (CID 111696969) is 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide?
The InChIKey is MSSAMPLYWVRHAB-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-8-9-1-4-11(7-9)16-14(19)12-5-6-15-13(17-12)10-2-3-10/h1,4-6,9-11,18H,2-3,7-8H2,(H,16,19)/t9-,11+/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 111696969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).