4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine

C13H18ClN3O — CID 175762310

IUPAC4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1cc(C2CC2)nc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c1-13(2)8-18-6-5-17(13)11-7-10(9-3-4-9)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3
InChIKeyIQQAXNKIZPCUJH-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.62
Rot. Bonds2

About 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine

4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine (PubChem CID 175762310) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine
PubChem CID175762310
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1cc(C2CC2)nc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c1-13(2)8-18-6-5-17(13)11-7-10(9-3-4-9)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3
InChIKeyIQQAXNKIZPCUJH-UHFFFAOYSA-N
XLogP2.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine 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

4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine
CID 91211970
[2-(3,3-dimethylmorpholin-4-yl)-6-methyl-4-pyridinyl]methanol
CID 113378735
4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564346
4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
CID 137453790
4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine
CID 62254126
6-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80796158
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62863215
4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine
CID 130056243
[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
CID 137453994
4-bromo-2-chloro-6-cyclopropylpyrimidine
CID 130056238
N-[[5-chloro-2-(3,3-dimethylmorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 114926070
N-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)pyridin-2-amine
CID 115498350

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine?
The IUPAC name of 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine (CID 175762310) is 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine?
The canonical SMILES for 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine is CC1(C)COCCN1c1cc(C2CC2)nc(Cl)n1.
What is the InChIKey of 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine?
The InChIKey is IQQAXNKIZPCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-13(2)8-18-6-5-17(13)11-7-10(9-3-4-9)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine?
4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine has a molecular weight of 267.76 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine is sourced from PubChem (CID 175762310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).