6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine

C13H20ClN3O — CID 55231437

IUPAC6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)CC2CCCOC2)n1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17(3)7-11-5-4-6-18-8-11/h11H,4-8H2,1-3H3
InChIKeyKWAKLWLQHITBQI-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.61
Rot. Bonds3

About 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine

6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 55231437) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
PubChem CID55231437
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)CC2CCCOC2)n1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17(3)7-11-5-4-6-18-8-11/h11H,4-8H2,1-3H3
InChIKeyKWAKLWLQHITBQI-UHFFFAOYSA-N
XLogP2.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N,2,5-trimethyl-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine (CID 55231437) is 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(C)CC2CCCOC2)n1.
What is the InChIKey of 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is KWAKLWLQHITBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17(3)7-11-5-4-6-18-8-11/h11H,4-8H2,1-3H3.
What are the key properties of 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2,5-trimethyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 55231437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).