[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol

C14H14ClFN2O — CID 44595748

IUPAC[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
SMILESCC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C14H14ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-6,8,19H,7H2,1-2H3
InChIKeyMACZLMHXNRVEGE-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.55
Rot. Bonds3

About [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol

[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol (PubChem CID 44595748) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
PubChem CID44595748
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
SMILESCC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C14H14ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-6,8,19H,7H2,1-2H3
InChIKeyMACZLMHXNRVEGE-UHFFFAOYSA-N
XLogP3.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol?
The IUPAC name of [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol (CID 44595748) is [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol is CC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol?
The InChIKey is MACZLMHXNRVEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-6,8,19H,7H2,1-2H3.
What are the key properties of [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol?
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol has a molecular weight of 280.73 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol is sourced from PubChem (CID 44595748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).