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

C19H28N6O — CID 19134737

IUPAC6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
SMILESCC(C)c1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1
InChIInChI=1S/C19H28N6O/c1-14(2)15-3-5-16(6-4-15)24-19-17(20)18(22-13-23-19)21-7-8-25-9-11-26-12-10-25/h3-6,13-14H,7-12,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyQPMCDNJLRLOUBI-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.67
Rot. Bonds7

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

6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19134737) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19134737
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
SMILESCC(C)c1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1
InChIInChI=1S/C19H28N6O/c1-14(2)15-3-5-16(6-4-15)24-19-17(20)18(22-13-23-19)21-7-8-25-9-11-26-12-10-25/h3-6,13-14H,7-12,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyQPMCDNJLRLOUBI-UHFFFAOYSA-N
XLogP2.67
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143987
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19153377
4-N-(2-methoxy-5-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541986
5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 23486506
ethyl 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 19153422
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
3-N-(2-morpholin-4-ylethyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112945331

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine (CID 19134737) is 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine is CC(C)c1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is QPMCDNJLRLOUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14(2)15-3-5-16(6-4-15)24-19-17(20)18(22-13-23-19)21-7-8-25-9-11-26-12-10-25/h3-6,13-14H,7-12,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 356.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19134737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).