[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol

C12H16F2N2O2 — CID 114205177

IUPAC[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol
SMILESCCOC(c1ncc(CO)c(C(F)F)n1)C1CC1
InChIInChI=1S/C12H16F2N2O2/c1-2-18-10(7-3-4-7)12-15-5-8(6-17)9(16-12)11(13)14/h5,7,10-11,17H,2-4,6H2,1H3
InChIKeyFHUXMADOKRDSCH-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.39
Rot. Bonds6

About [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol

[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114205177) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114205177
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol
SMILESCCOC(c1ncc(CO)c(C(F)F)n1)C1CC1
InChIInChI=1S/C12H16F2N2O2/c1-2-18-10(7-3-4-7)12-15-5-8(6-17)9(16-12)11(13)14/h5,7,10-11,17H,2-4,6H2,1H3
InChIKeyFHUXMADOKRDSCH-UHFFFAOYSA-N
XLogP2.39
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[cyclopropyl(methoxy)methyl]-4-propylpyrimidin-5-yl]methanol
CID 114205020
ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate
CID 102972887
[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
CID 130482994
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738450
2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid
CID 116731354
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728336
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778896
2-[cyclopropyl(ethoxy)methyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741382
[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 116733877
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 116778816
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol (CID 114205177) is [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol is CCOC(c1ncc(CO)c(C(F)F)n1)C1CC1.
What is the InChIKey of [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is FHUXMADOKRDSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-2-18-10(7-3-4-7)12-15-5-8(6-17)9(16-12)11(13)14/h5,7,10-11,17H,2-4,6H2,1H3.
What are the key properties of [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol?
[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 258.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).