5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine

C11H17ClN4O — CID 80787331

IUPAC5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CC(C)OCC2C)n1
InChIInChI=1S/C11H17ClN4O/c1-7-6-17-8(2)5-16(7)10-9(12)4-14-11(13-3)15-10/h4,7-8H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyDTYZCQLAZGHSTC-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.79
Rot. Bonds2

About 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine

5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 80787331) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
PubChem CID80787331
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CC(C)OCC2C)n1
InChIInChI=1S/C11H17ClN4O/c1-7-6-17-8(2)5-16(7)10-9(12)4-14-11(13-3)15-10/h4,7-8H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyDTYZCQLAZGHSTC-UHFFFAOYSA-N
XLogP1.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80782226
[5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazine
CID 80896237
4-(2,5-dimethylmorpholin-4-yl)-N-methylquinazolin-2-amine
CID 80787211
5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80796103
3,5-dichloro-6-(2,5-dimethylmorpholin-4-yl)-N-propylpyridin-2-amine
CID 102756113
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 113336405
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856110
5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 80828943
[4-(2,5-dimethylmorpholin-4-yl)quinazolin-2-yl]hydrazine
CID 80906218
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine (CID 80787331) is 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(N2CC(C)OCC2C)n1.
What is the InChIKey of 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is DTYZCQLAZGHSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-6-17-8(2)5-16(7)10-9(12)4-14-11(13-3)15-10/h4,7-8H,5-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80787331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).