6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine

C21H22FN5O — CID 112859666

IUPAC6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESFc1ccccc1CNc1cc(Nc2ccccc2N2CCOCC2)ncn1
InChIInChI=1S/C21H22FN5O/c22-17-6-2-1-5-16(17)14-23-20-13-21(25-15-24-20)26-18-7-3-4-8-19(18)27-9-11-28-12-10-27/h1-8,13,15H,9-12,14H2,(H2,23,24,25,26)
InChIKeyMESJYPLEFDUJPS-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.81
Rot. Bonds6

About 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine

6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112859666) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112859666
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESFc1ccccc1CNc1cc(Nc2ccccc2N2CCOCC2)ncn1
InChIInChI=1S/C21H22FN5O/c22-17-6-2-1-5-16(17)14-23-20-13-21(25-15-24-20)26-18-7-3-4-8-19(18)27-9-11-28-12-10-27/h1-8,13,15H,9-12,14H2,(H2,23,24,25,26)
InChIKeyMESJYPLEFDUJPS-UHFFFAOYSA-N
XLogP3.81
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112864906
4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859683
4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112889811
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-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271
6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855276
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112859560

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (CID 112859666) is 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is Fc1ccccc1CNc1cc(Nc2ccccc2N2CCOCC2)ncn1.
What is the InChIKey of 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is MESJYPLEFDUJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-17-6-2-1-5-16(17)14-23-20-13-21(25-15-24-20)26-18-7-3-4-8-19(18)27-9-11-28-12-10-27/h1-8,13,15H,9-12,14H2,(H2,23,24,25,26).
What are the key properties of 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 379.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112859666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).