[4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol

C16H14N2O — CID 116899513

IUPAC[4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol
SMILESCc1ccc2cc(-c3ccnc(CO)n3)ccc2c1
InChIInChI=1S/C16H14N2O/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-6-7-17-16(10-19)18-15/h2-9,19H,10H2,1H3
InChIKeyYHWSRYNWVDEQFS-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.10
Rot. Bonds2

About [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol

[4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol (PubChem CID 116899513) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol
PubChem CID116899513
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name[4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol
SMILESCc1ccc2cc(-c3ccnc(CO)n3)ccc2c1
InChIInChI=1S/C16H14N2O/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-6-7-17-16(10-19)18-15/h2-9,19H,10H2,1H3
InChIKeyYHWSRYNWVDEQFS-UHFFFAOYSA-N
XLogP3.10
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol?
The IUPAC name of [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol (CID 116899513) is [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol is Cc1ccc2cc(-c3ccnc(CO)n3)ccc2c1.
What is the InChIKey of [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol?
The InChIKey is YHWSRYNWVDEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-6-7-17-16(10-19)18-15/h2-9,19H,10H2,1H3.
What are the key properties of [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol?
[4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol has a molecular weight of 250.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylnaphthalen-2-yl)pyrimidin-2-yl]methanol is sourced from PubChem (CID 116899513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).