4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine

C14H21ClN2O — CID 113391207

IUPAC4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(CC2CCCCO2)n1
InChIInChI=1S/C14H21ClN2O/c1-14(2,3)11-9-12(15)17-13(16-11)8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3
InChIKeyYGDDDMONYLYWFR-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.54
Rot. Bonds2

About 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine

4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine (PubChem CID 113391207) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine
PubChem CID113391207
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(CC2CCCCO2)n1
InChIInChI=1S/C14H21ClN2O/c1-14(2,3)11-9-12(15)17-13(16-11)8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3
InChIKeyYGDDDMONYLYWFR-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 62191028
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine
CID 61412758
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355
4-tert-butyl-6-chloro-2-cyclobutylpyrimidine
CID 64982449
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 113391678

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine (CID 113391207) is 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine is CC(C)(C)c1cc(Cl)nc(CC2CCCCO2)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine?
The InChIKey is YGDDDMONYLYWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2,3)11-9-12(15)17-13(16-11)8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine?
4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine has a molecular weight of 268.79 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine is sourced from PubChem (CID 113391207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).