6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine

C23H27N5O — CID 112865565

IUPAC6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1cc(C)c(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-16-12-17(2)23(18(3)13-16)27-22-14-21(24-15-25-22)26-19-6-4-5-7-20(19)28-8-10-29-11-9-28/h4-7,12-15H,8-11H2,1-3H3,(H2,24,25,26,27)
InChIKeyWSGRDFACWHKNFV-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.73
Rot. Bonds5

About 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine

6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112865565) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112865565
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1cc(C)c(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-16-12-17(2)23(18(3)13-16)27-22-14-21(24-15-25-22)26-19-6-4-5-7-20(19)28-8-10-29-11-9-28/h4-7,12-15H,8-11H2,1-3H3,(H2,24,25,26,27)
InChIKeyWSGRDFACWHKNFV-UHFFFAOYSA-N
XLogP4.73
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112864906
4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112864782
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112862016
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112859666
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112928044
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine (CID 112865565) is 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine is Cc1cc(C)c(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)c(C)c1.
What is the InChIKey of 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is WSGRDFACWHKNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-12-17(2)23(18(3)13-16)27-22-14-21(24-15-25-22)26-19-6-4-5-7-20(19)28-8-10-29-11-9-28/h4-7,12-15H,8-11H2,1-3H3,(H2,24,25,26,27).
What are the key properties of 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 389.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).