5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine

C13H15ClN6O — CID 89181953

IUPAC5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
SMILESCc1c(Cl)nc(-c2cnc(N)nc2)nc1N1CCOCC1
InChIInChI=1S/C13H15ClN6O/c1-8-10(14)18-11(9-6-16-13(15)17-7-9)19-12(8)20-2-4-21-5-3-20/h6-7H,2-5H2,1H3,(H2,15,16,17)
InChIKeyYUXVWZKVTDPTST-UHFFFAOYSA-N
MW306.76 g/mol
LogP1.31
Rot. Bonds2

About 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine

5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine (PubChem CID 89181953) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
PubChem CID89181953
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
SMILESCc1c(Cl)nc(-c2cnc(N)nc2)nc1N1CCOCC1
InChIInChI=1S/C13H15ClN6O/c1-8-10(14)18-11(9-6-16-13(15)17-7-9)19-12(8)20-2-4-21-5-3-20/h6-7H,2-5H2,1H3,(H2,15,16,17)
InChIKeyYUXVWZKVTDPTST-UHFFFAOYSA-N
XLogP1.31
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-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 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine (CID 89181953) is 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine is Cc1c(Cl)nc(-c2cnc(N)nc2)nc1N1CCOCC1.
What is the InChIKey of 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The InChIKey is YUXVWZKVTDPTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O/c1-8-10(14)18-11(9-6-16-13(15)17-7-9)19-12(8)20-2-4-21-5-3-20/h6-7H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine has a molecular weight of 306.76 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 89181953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).