N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide

C14H15N5O3 — CID 71693775

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1cncnc1
InChIInChI=1S/C14H15N5O3/c20-11-1-10(8-2-15-6-16-3-8)12(13(11)21)19-14(22)9-4-17-7-18-5-9/h2-7,10-13,20-21H,1H2,(H,19,22)/t10-,11-,12-,13-/m1/s1
InChIKeyQVSOAKBHVGGRJE-FDYHWXHSSA-N
MW301.31 g/mol
LogP-0.73
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide (PubChem CID 71693775) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide
PubChem CID71693775
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1cncnc1
InChIInChI=1S/C14H15N5O3/c20-11-1-10(8-2-15-6-16-3-8)12(13(11)21)19-14(22)9-4-17-7-18-5-9/h2-7,10-13,20-21H,1H2,(H,19,22)/t10-,11-,12-,13-/m1/s1
InChIKeyQVSOAKBHVGGRJE-FDYHWXHSSA-N
XLogP-0.73
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide (CID 71693775) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide is O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1cncnc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide?
The InChIKey is QVSOAKBHVGGRJE-FDYHWXHSSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-11-1-10(8-2-15-6-16-3-8)12(13(11)21)19-14(22)9-4-17-7-18-5-9/h2-7,10-13,20-21H,1H2,(H,19,22)/t10-,11-,12-,13-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71693775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).