5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine

C10H15ClN4O — CID 80782226

IUPAC5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCOCC2C)n1
InChIInChI=1S/C10H15ClN4O/c1-7-6-16-4-3-15(7)9-8(11)5-13-10(12-2)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyXBDGGKVPMTXDCA-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.40
Rot. Bonds2

About 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine

5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine (PubChem CID 80782226) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
PubChem CID80782226
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCOCC2C)n1
InChIInChI=1S/C10H15ClN4O/c1-7-6-16-4-3-15(7)9-8(11)5-13-10(12-2)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyXBDGGKVPMTXDCA-UHFFFAOYSA-N
XLogP1.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine (CID 80782226) is 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine is CNc1ncc(Cl)c(N2CCOCC2C)n1.
What is the InChIKey of 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The InChIKey is XBDGGKVPMTXDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-7-6-16-4-3-15(7)9-8(11)5-13-10(12-2)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80782226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).