(4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone

C10H7ClN2O3 — CID 118628740

IUPAC(4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone
SMILESO=C(c1cc(CO)co1)c1cncnc1Cl
InChIInChI=1S/C10H7ClN2O3/c11-10-7(2-12-5-13-10)9(15)8-1-6(3-14)4-16-8/h1-2,4-5,14H,3H2
InChIKeyZDWDHJRYMYULKR-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.45
Rot. Bonds3

About (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone

(4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone (PubChem CID 118628740) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone
PubChem CID118628740
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name(4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone
SMILESO=C(c1cc(CO)co1)c1cncnc1Cl
InChIInChI=1S/C10H7ClN2O3/c11-10-7(2-12-5-13-10)9(15)8-1-6(3-14)4-16-8/h1-2,4-5,14H,3H2
InChIKeyZDWDHJRYMYULKR-UHFFFAOYSA-N
XLogP1.45
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(Z)-[(2S,4R)-2-hydroxy-4-[[5-[4-(hydroxymethyl)furan-2-carbonyl]pyrimidin-4-yl]amino]cyclopentylidene]methyl] ethanesulfonate
CID 146747538
[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]-[4-(methoxymethyl)furan-2-yl]methanone
CID 118654209
[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]-[4-[tri(propan-2-yl)silyloxymethyl]furan-2-yl]methanone
CID 159541879
(4-chloropyrimidin-5-yl)-[4-[1-hydroxy-1-(3-methylphenyl)ethyl]-5-methylthiophen-2-yl]methanone
CID 144991793
5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
tert-butyl N-[(3-chlorophenyl)-[5-(4-chloropyrimidine-5-carbonyl)thiophen-3-yl]methyl]carbamate
CID 118654264
[4-[[5-chloro-2-[2-(diphenylphosphorylamino)ethyl]phenyl]methyl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone
CID 171636228
pyrimidine-4,5-dicarboxylate
CID 19795578
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 107230340
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437

Frequently Asked Questions

What is the IUPAC name of (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone?
The IUPAC name of (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone (CID 118628740) is (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone?
The canonical SMILES for (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone is O=C(c1cc(CO)co1)c1cncnc1Cl.
What is the InChIKey of (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone?
The InChIKey is ZDWDHJRYMYULKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-10-7(2-12-5-13-10)9(15)8-1-6(3-14)4-16-8/h1-2,4-5,14H,3H2.
What are the key properties of (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone?
(4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone has a molecular weight of 238.63 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrimidin-5-yl)-[4-(hydroxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 118628740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).