3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine

C17H24N6O3 — CID 126471335

IUPAC3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
SMILESCOc1ncc(-c2nccnc2NCCCN2CCOCC2)c(OC)n1
InChIInChI=1S/C17H24N6O3/c1-24-16-13(12-21-17(22-16)25-2)14-15(20-6-5-18-14)19-4-3-7-23-8-10-26-11-9-23/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20)
InChIKeyMOOCDEFZWREZFH-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.09
Rot. Bonds8

About 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine

3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine (PubChem CID 126471335) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
PubChem CID126471335
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
SMILESCOc1ncc(-c2nccnc2NCCCN2CCOCC2)c(OC)n1
InChIInChI=1S/C17H24N6O3/c1-24-16-13(12-21-17(22-16)25-2)14-15(20-6-5-18-14)19-4-3-7-23-8-10-26-11-9-23/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20)
InChIKeyMOOCDEFZWREZFH-UHFFFAOYSA-N
XLogP1.09
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 69397595
4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 143380800
6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
CID 82455993
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
5-[3-(3-methylphenyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68920820

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine (CID 126471335) is 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine.
What is the SMILES notation for 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The canonical SMILES for 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine is COc1ncc(-c2nccnc2NCCCN2CCOCC2)c(OC)n1.
What is the InChIKey of 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The InChIKey is MOOCDEFZWREZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-24-16-13(12-21-17(22-16)25-2)14-15(20-6-5-18-14)19-4-3-7-23-8-10-26-11-9-23/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine has a molecular weight of 360.42 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine is sourced from PubChem (CID 126471335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).