4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine

C20H21N5O — CID 112864782

IUPAC4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
SMILESc1ccc(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)cc1
InChIInChI=1S/C20H21N5O/c1-2-6-16(7-3-1)23-19-14-20(22-15-21-19)24-17-8-4-5-9-18(17)25-10-12-26-13-11-25/h1-9,14-15H,10-13H2,(H2,21,22,23,24)
InChIKeyPADJFZMWAFOJAB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.80
Rot. Bonds5

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

4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 112864782) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
PubChem CID112864782
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
SMILESc1ccc(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)cc1
InChIInChI=1S/C20H21N5O/c1-2-6-16(7-3-1)23-19-14-20(22-15-21-19)24-17-8-4-5-9-18(17)25-10-12-26-13-11-25/h1-9,14-15H,10-13H2,(H2,21,22,23,24)
InChIKeyPADJFZMWAFOJAB-UHFFFAOYSA-N
XLogP3.80
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.80
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
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112859666
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112862016
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine
CID 142656515
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109126611
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-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873778

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine (CID 112864782) is 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine is c1ccc(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)cc1.
What is the InChIKey of 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is PADJFZMWAFOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-6-16(7-3-1)23-19-14-20(22-15-21-19)24-17-8-4-5-9-18(17)25-10-12-26-13-11-25/h1-9,14-15H,10-13H2,(H2,21,22,23,24).
What are the key properties of 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine?
4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 347.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).