2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine

C14H19BrClN3O — CID 79669077

IUPAC2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine
SMILESCCCN1CCOC(c2nc(Cl)c(Br)c(C3CC3)n2)C1
InChIInChI=1S/C14H19BrClN3O/c1-2-5-19-6-7-20-10(8-19)14-17-12(9-3-4-9)11(15)13(16)18-14/h9-10H,2-8H2,1H3
InChIKeyXHPMSGFFSPUATN-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.55
Rot. Bonds4

About 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine

2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine (PubChem CID 79669077) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine
PubChem CID79669077
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC Name2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine
SMILESCCCN1CCOC(c2nc(Cl)c(Br)c(C3CC3)n2)C1
InChIInChI=1S/C14H19BrClN3O/c1-2-5-19-6-7-20-10(8-19)14-17-12(9-3-4-9)11(15)13(16)18-14/h9-10H,2-8H2,1H3
InChIKeyXHPMSGFFSPUATN-UHFFFAOYSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine
CID 79076880
5-bromo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657186
4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664457
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657802
2-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-propylmorpholine
CID 79663270
5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
CID 66292667
[6-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-yl]hydrazine
CID 79657417
5-bromo-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657263
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine
CID 79666831
1-[4,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 79657347
5-bromo-6-cyclopropyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79664312
N,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657800

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine?
The IUPAC name of 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine (CID 79669077) is 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine?
The canonical SMILES for 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine is CCCN1CCOC(c2nc(Cl)c(Br)c(C3CC3)n2)C1.
What is the InChIKey of 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine?
The InChIKey is XHPMSGFFSPUATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O/c1-2-5-19-6-7-20-10(8-19)14-17-12(9-3-4-9)11(15)13(16)18-14/h9-10H,2-8H2,1H3.
What are the key properties of 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine?
2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine has a molecular weight of 360.68 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine is sourced from PubChem (CID 79669077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).