4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine

C18H25ClN6O3 — CID 19153377

IUPAC4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
SMILESCOc1cc(OC)c(Nc2ncnc(NCCN3CCOCC3)c2N)cc1Cl
InChIInChI=1S/C18H25ClN6O3/c1-26-14-10-15(27-2)13(9-12(14)19)24-18-16(20)17(22-11-23-18)21-3-4-25-5-7-28-8-6-25/h9-11H,3-8,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyTWQAPBOCFZXLDZ-UHFFFAOYSA-N
MW408.89 g/mol
LogP2.22
Rot. Bonds8

About 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine

4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19153377) has the molecular formula C18H25ClN6O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
PubChem CID19153377
Molecular FormulaC18H25ClN6O3
Molecular Weight408.89 g/mol
Exact Mass408.17
IUPAC Name4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
SMILESCOc1cc(OC)c(Nc2ncnc(NCCN3CCOCC3)c2N)cc1Cl
InChIInChI=1S/C18H25ClN6O3/c1-26-14-10-15(27-2)13(9-12(14)19)24-18-16(20)17(22-11-23-18)21-3-4-25-5-7-28-8-6-25/h9-11H,3-8,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyTWQAPBOCFZXLDZ-UHFFFAOYSA-N
XLogP2.22
TPSA106.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-(2-methoxy-5-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541986
6-N-butyl-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19134919
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541759
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543090
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134737
6-(azepan-1-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19137931
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152445
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
4-N-(2-methylquinolin-8-yl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19144965
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine (CID 19153377) is 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine is COc1cc(OC)c(Nc2ncnc(NCCN3CCOCC3)c2N)cc1Cl.
What is the InChIKey of 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is TWQAPBOCFZXLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O3/c1-26-14-10-15(27-2)13(9-12(14)19)24-18-16(20)17(22-11-23-18)21-3-4-25-5-7-28-8-6-25/h9-11H,3-8,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 408.89 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19153377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).