[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol

C13H14N2O2 — CID 62748660

IUPAC[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
SMILESCOc1ccc(Cc2nccc(CO)n2)cc1
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-10(3-5-12)8-13-14-7-6-11(9-16)15-13/h2-7,16H,8-9H2,1H3
InChIKeyTVVLMFLLFBYDIG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.57
Rot. Bonds4

About [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol

[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol (PubChem CID 62748660) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
PubChem CID62748660
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
SMILESCOc1ccc(Cc2nccc(CO)n2)cc1
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-10(3-5-12)8-13-14-7-6-11(9-16)15-13/h2-7,16H,8-9H2,1H3
InChIKeyTVVLMFLLFBYDIG-UHFFFAOYSA-N
XLogP1.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol (CID 62748660) is [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol is COc1ccc(Cc2nccc(CO)n2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol?
The InChIKey is TVVLMFLLFBYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-4-2-10(3-5-12)8-13-14-7-6-11(9-16)15-13/h2-7,16H,8-9H2,1H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol?
[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol has a molecular weight of 230.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 62748660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).