[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol

C16H18N2O — CID 65404283

IUPAC[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O/c1-11-8-15(10-19)18-16(17-11)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,14,19H,6-7,9-10H2,1H3
InChIKeyJCYBGQHRVHXWCS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.55
Rot. Bonds2

About [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol

[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol (PubChem CID 65404283) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol
PubChem CID65404283
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O/c1-11-8-15(10-19)18-16(17-11)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,14,19H,6-7,9-10H2,1H3
InChIKeyJCYBGQHRVHXWCS-UHFFFAOYSA-N
XLogP2.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-yl]methanol
CID 65403208
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65403880
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol
CID 65415858
5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 66307689
4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 65415094
4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
CID 66294437
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65405051
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742288
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65406026
5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
CID 66291866

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol (CID 65404283) is [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol is Cc1cc(CO)nc(C2CCc3ccccc3C2)n1.
What is the InChIKey of [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol?
The InChIKey is JCYBGQHRVHXWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-8-15(10-19)18-16(17-11)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,14,19H,6-7,9-10H2,1H3.
What are the key properties of [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol?
[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol has a molecular weight of 254.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 65404283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).