2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine

C14H22ClN3O — CID 80954111

IUPAC2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NCC2CCCOC2)n1
InChIInChI=1S/C14H22ClN3O/c1-14(2,3)13-17-11(15)7-12(18-13)16-8-10-5-4-6-19-9-10/h7,10H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyVGDOQIYOTLMZLB-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.27
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80954111) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
PubChem CID80954111
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NCC2CCCOC2)n1
InChIInChI=1S/C14H22ClN3O/c1-14(2,3)13-17-11(15)7-12(18-13)16-8-10-5-4-6-19-9-10/h7,10H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyVGDOQIYOTLMZLB-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine 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

2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
2-tert-butyl-6-chloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 80951283
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80936100
2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80950997
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80951232
2-tert-butyl-6-chloro-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80951538
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63960908

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine (CID 80954111) is 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(NCC2CCCOC2)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is VGDOQIYOTLMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-14(2,3)13-17-11(15)7-12(18-13)16-8-10-5-4-6-19-9-10/h7,10H,4-6,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80954111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).