2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide

C10H15N3O3 — CID 67590820

IUPAC2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N2C=CC=NC2)CCC(O)C1O
InChIInChI=1S/C10H15N3O3/c11-9(16)10(3-2-7(14)8(10)15)13-5-1-4-12-6-13/h1,4-5,7-8,14-15H,2-3,6H2,(H2,11,16)
InChIKeyUKMSVLLGDUKFAA-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.42
Rot. Bonds2

About 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide

2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide (PubChem CID 67590820) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide
PubChem CID67590820
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N2C=CC=NC2)CCC(O)C1O
InChIInChI=1S/C10H15N3O3/c11-9(16)10(3-2-7(14)8(10)15)13-5-1-4-12-6-13/h1,4-5,7-8,14-15H,2-3,6H2,(H2,11,16)
InChIKeyUKMSVLLGDUKFAA-UHFFFAOYSA-N
XLogP-1.42
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide (CID 67590820) is 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide is NC(=O)C1(N2C=CC=NC2)CCC(O)C1O.
What is the InChIKey of 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide?
The InChIKey is UKMSVLLGDUKFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-9(16)10(3-2-7(14)8(10)15)13-5-1-4-12-6-13/h1,4-5,7-8,14-15H,2-3,6H2,(H2,11,16).
What are the key properties of 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide?
2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 67590820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).