2-(oxan-4-ylmethyl)pyrimidine

C10H14N2O — CID 67123778

IUPAC2-(oxan-4-ylmethyl)pyrimidine
SMILESc1cnc(CC2CCOCC2)nc1
InChIInChI=1S/C10H14N2O/c1-4-11-10(12-5-1)8-9-2-6-13-7-3-9/h1,4-5,9H,2-3,6-8H2
InChIKeyPOTHVIUATYWTDF-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.45
Rot. Bonds2

About 2-(oxan-4-ylmethyl)pyrimidine

2-(oxan-4-ylmethyl)pyrimidine (PubChem CID 67123778) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)pyrimidine
PubChem CID67123778
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(oxan-4-ylmethyl)pyrimidine
SMILESc1cnc(CC2CCOCC2)nc1
InChIInChI=1S/C10H14N2O/c1-4-11-10(12-5-1)8-9-2-6-13-7-3-9/h1,4-5,9H,2-3,6-8H2
InChIKeyPOTHVIUATYWTDF-UHFFFAOYSA-N
XLogP1.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(Cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
CID 45265071
5-Bromo-2-(oxan-4-yl)pyrimidine
CID 76848543
1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
1-(Pyrimidin-2-yl)piperidine-4-carbaldehyde
CID 62664150
8-(Oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97370003
4-[[4-(Pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
CID 118739974
2-(tetrahydro-2H-pyran-4-yl)pyrimidin-5-amine
CID 62384450
1-[(Pyrimidin-2-yl)methyl]piperidine-4-carbaldehyde
CID 62698846
{1-[(Pyrimidin-2-yl)methyl]piperidin-4-yl}methanol
CID 62699790
4-(Pyrimidin-2-yl)oxan-4-amine
CID 126980358
Pyrimidinylcyclohexane
CID 17937609
Cyclobutyl pyrimidine
CID 18329571

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)pyrimidine?
The IUPAC name of 2-(oxan-4-ylmethyl)pyrimidine (CID 67123778) is 2-(oxan-4-ylmethyl)pyrimidine.
What is the SMILES notation for 2-(oxan-4-ylmethyl)pyrimidine?
The canonical SMILES for 2-(oxan-4-ylmethyl)pyrimidine is c1cnc(CC2CCOCC2)nc1.
What is the InChIKey of 2-(oxan-4-ylmethyl)pyrimidine?
The InChIKey is POTHVIUATYWTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-11-10(12-5-1)8-9-2-6-13-7-3-9/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 2-(oxan-4-ylmethyl)pyrimidine?
2-(oxan-4-ylmethyl)pyrimidine has a molecular weight of 178.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)pyrimidine is sourced from PubChem (CID 67123778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).