6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine

C21H23N5O — CID 112864906

IUPAC6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)c1
InChIInChI=1S/C21H23N5O/c1-16-5-4-6-17(13-16)24-20-14-21(23-15-22-20)25-18-7-2-3-8-19(18)26-9-11-27-12-10-26/h2-8,13-15H,9-12H2,1H3,(H2,22,23,24,25)
InChIKeyVHTRRDNLVHQCGR-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.11
Rot. Bonds5

About 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine

6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112864906) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112864906
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)c1
InChIInChI=1S/C21H23N5O/c1-16-5-4-6-17(13-16)24-20-14-21(23-15-22-20)25-18-7-2-3-8-19(18)26-9-11-27-12-10-26/h2-8,13-15H,9-12H2,1H3,(H2,22,23,24,25)
InChIKeyVHTRRDNLVHQCGR-UHFFFAOYSA-N
XLogP4.11
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112864782
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
3-N-(3-methylphenyl)-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962114
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112864909
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112859666
2-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195056
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
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112928044
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (CID 112864906) is 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is Cc1cccc(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)c1.
What is the InChIKey of 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is VHTRRDNLVHQCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-5-4-6-17(13-16)24-20-14-21(23-15-22-20)25-18-7-2-3-8-19(18)26-9-11-27-12-10-26/h2-8,13-15H,9-12H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 361.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).