6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine

C13H20ClN3O — CID 133439572

IUPAC6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C13H20ClN3O/c1-8-15-10(14)6-11(16-8)17-9-7-12(2,3)18-13(9,4)5/h6,9H,7H2,1-5H3,(H,15,16,17)
InChIKeyLTVDBYDHPTZGDG-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.20
Rot. Bonds2

About 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine

6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine (PubChem CID 133439572) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
PubChem CID133439572
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C13H20ClN3O/c1-8-15-10(14)6-11(16-8)17-9-7-12(2,3)18-13(9,4)5/h6,9H,7H2,1-5H3,(H,15,16,17)
InChIKeyLTVDBYDHPTZGDG-UHFFFAOYSA-N
XLogP3.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)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

1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine
CID 113354083
N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915895
2,5,6-trimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
CID 133439394
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918442
N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 107632414
6-chloro-N-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 79907143
6-chloro-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713664
6-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazine-3-carboxamide
CID 133439410
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81377263
N-(2-methoxy-4-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79928376
N-(3-fluorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918656
6-chloro-N-(1,1-dioxothian-4-yl)-2-methylpyrimidin-4-amine
CID 55079915

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine (CID 133439572) is 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine is Cc1nc(Cl)cc(NC2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine?
The InChIKey is LTVDBYDHPTZGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8-15-10(14)6-11(16-8)17-9-7-12(2,3)18-13(9,4)5/h6,9H,7H2,1-5H3,(H,15,16,17).
What are the key properties of 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 133439572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).