[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol

C13H14N2O2 — CID 114205160

IUPAC[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol
SMILESCc1occc1-c1ncc(CO)c(C2CC2)n1
InChIInChI=1S/C13H14N2O2/c1-8-11(4-5-17-8)13-14-6-10(7-16)12(15-13)9-2-3-9/h4-6,9,16H,2-3,7H2,1H3
InChIKeyMOHZCBLFNCPMAB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.41
Rot. Bonds3

About [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol

[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol (PubChem CID 114205160) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol
PubChem CID114205160
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol
SMILESCc1occc1-c1ncc(CO)c(C2CC2)n1
InChIInChI=1S/C13H14N2O2/c1-8-11(4-5-17-8)13-14-6-10(7-16)12(15-13)9-2-3-9/h4-6,9,16H,2-3,7H2,1H3
InChIKeyMOHZCBLFNCPMAB-UHFFFAOYSA-N
XLogP2.41
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
CID 130483314
[2-(5-bromo-2-pyridinyl)-4-cyclopropylpyrimidin-5-yl]methanol
CID 114205147
5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790716
N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 104790829
N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 114245237
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 104790960
4-cyclopropyl-6-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
CID 104791065
5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine
CID 114205468
(2-benzyl-4-cyclopropylpyrimidin-5-yl)methanol
CID 114205144
2-(2-methylfuran-3-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 104790568
(4-cyclopropylpyrimidin-5-yl)methanol
CID 126972771
4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
CID 104791061

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol (CID 114205160) is [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol is Cc1occc1-c1ncc(CO)c(C2CC2)n1.
What is the InChIKey of [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol?
The InChIKey is MOHZCBLFNCPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-11(4-5-17-8)13-14-6-10(7-16)12(15-13)9-2-3-9/h4-6,9,16H,2-3,7H2,1H3.
What are the key properties of [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol?
[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol has a molecular weight of 230.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).