N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide

C11H15N3O4 — CID 171557478

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1ncccn1
InChIInChI=1S/C11H15N3O4/c15-7-2-5-18-8(9(7)16)6-14-11(17)10-12-3-1-4-13-10/h1,3-4,7-9,15-16H,2,5-6H2,(H,14,17)
InChIKeyWFJDDMICOURSNB-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.28
Rot. Bonds3

About N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide

N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide (PubChem CID 171557478) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide
PubChem CID171557478
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1ncccn1
InChIInChI=1S/C11H15N3O4/c15-7-2-5-18-8(9(7)16)6-14-11(17)10-12-3-1-4-13-10/h1,3-4,7-9,15-16H,2,5-6H2,(H,14,17)
InChIKeyWFJDDMICOURSNB-UHFFFAOYSA-N
XLogP-1.28
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
CID 171557176
N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide
CID 171556730
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide
CID 177015877
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide
CID 118652204
N-[[(2R,3S,4R)-4-[bis(pyridin-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536471
N-[(3,4-dihydroxyoxan-2-yl)methyl]-3-ethyl-1-methyl-5-methylidenecyclohexane-1-carboxamide
CID 171557267
N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 129207207
2-(phenoxymethyl)oxane-3,4-diol
CID 171557855
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 75536789
3-cyano-N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-pyrazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556881
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
CID 134565640

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide (CID 171557478) is N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide is O=C(NCC1OCCC(O)C1O)c1ncccn1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide?
The InChIKey is WFJDDMICOURSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-7-2-5-18-8(9(7)16)6-14-11(17)10-12-3-1-4-13-10/h1,3-4,7-9,15-16H,2,5-6H2,(H,14,17).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide?
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide has a molecular weight of 253.26 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 171557478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).