6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine

C18H20N8O — CID 117089780

IUPAC6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(Nc2ccncn2)n1
InChIInChI=1S/C18H20N8O/c19-18-24-16(11-17(25-18)23-15-5-6-20-12-21-15)22-13-1-3-14(4-2-13)26-7-9-27-10-8-26/h1-6,11-12H,7-10H2,(H4,19,20,21,22,23,24,25)
InChIKeyRJXFMNRRJXVFJK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.17
Rot. Bonds5

About 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine

6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine (PubChem CID 117089780) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
PubChem CID117089780
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(Nc2ccncn2)n1
InChIInChI=1S/C18H20N8O/c19-18-24-16(11-17(25-18)23-15-5-6-20-12-21-15)22-13-1-3-14(4-2-13)26-7-9-27-10-8-26/h1-6,11-12H,7-10H2,(H4,19,20,21,22,23,24,25)
InChIKeyRJXFMNRRJXVFJK-UHFFFAOYSA-N
XLogP2.17
TPSA114.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117085010
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine
CID 80812289
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 71036344
4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117076740
1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117081350
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117083977
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine (CID 117089780) is 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine is Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(Nc2ccncn2)n1.
What is the InChIKey of 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine?
The InChIKey is RJXFMNRRJXVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c19-18-24-16(11-17(25-18)23-15-5-6-20-12-21-15)22-13-1-3-14(4-2-13)26-7-9-27-10-8-26/h1-6,11-12H,7-10H2,(H4,19,20,21,22,23,24,25).
What are the key properties of 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine?
6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine has a molecular weight of 364.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 117089780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).