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

C17H24N6O — CID 19148640

IUPAC4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1
InChIInChI=1S/C17H24N6O/c1-13-2-4-14(5-3-13)22-17-15(18)16(20-12-21-17)19-6-7-23-8-10-24-11-9-23/h2-5,12H,6-11,18H2,1H3,(H2,19,20,21,22)
InChIKeyYHYATOZPQBKRGX-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.85
Rot. Bonds6

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

4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19148640) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
PubChem CID19148640
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1
InChIInChI=1S/C17H24N6O/c1-13-2-4-14(5-3-13)22-17-15(18)16(20-12-21-17)19-6-7-23-8-10-24-11-9-23/h2-5,12H,6-11,18H2,1H3,(H2,19,20,21,22)
InChIKeyYHYATOZPQBKRGX-UHFFFAOYSA-N
XLogP1.85
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134737
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
4-N-(2-methoxy-5-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541986
6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143987
ethyl 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 19153422
4-N-(2-methylquinolin-8-yl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19144965
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144827

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine (CID 19148640) is 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is YHYATOZPQBKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-2-4-14(5-3-13)22-17-15(18)16(20-12-21-17)19-6-7-23-8-10-24-11-9-23/h2-5,12H,6-11,18H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 328.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).