4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine

C18H26N6O — CID 22541072

IUPAC4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(NCCN3CCOCC3)c2N)c1
InChIInChI=1S/C18H26N6O/c1-13-9-14(2)11-15(10-13)23-18-16(19)17(21-12-22-18)20-3-4-24-5-7-25-8-6-24/h9-12H,3-8,19H2,1-2H3,(H2,20,21,22,23)
InChIKeyQYYYFWNUJOOCNX-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.16
Rot. Bonds6

About 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine

4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine (PubChem CID 22541072) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
PubChem CID22541072
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(NCCN3CCOCC3)c2N)c1
InChIInChI=1S/C18H26N6O/c1-13-9-14(2)11-15(10-13)23-18-16(19)17(21-12-22-18)20-3-4-24-5-7-25-8-6-24/h9-12H,3-8,19H2,1-2H3,(H2,20,21,22,23)
InChIKeyQYYYFWNUJOOCNX-UHFFFAOYSA-N
XLogP2.16
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-N-(2-methoxy-5-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541986
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
ethyl 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 19153422
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19153377
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
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
6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
6-N-(3-morpholin-4-ylpropyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143899

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine (CID 22541072) is 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine is Cc1cc(C)cc(Nc2ncnc(NCCN3CCOCC3)c2N)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is QYYYFWNUJOOCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-9-14(2)11-15(10-13)23-18-16(19)17(21-12-22-18)20-3-4-24-5-7-25-8-6-24/h9-12H,3-8,19H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 342.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22541072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).