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

C22H25N5O — CID 112889811

IUPAC4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1CNc1ccnc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C22H25N5O/c1-17-6-2-3-7-18(17)16-24-21-10-11-23-22(26-21)25-19-8-4-5-9-20(19)27-12-14-28-15-13-27/h2-11H,12-16H2,1H3,(H2,23,24,25,26)
InChIKeyAOPUKOXYIDYNMN-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.98
Rot. Bonds6

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

4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112889811) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112889811
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1CNc1ccnc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C22H25N5O/c1-17-6-2-3-7-18(17)16-24-21-10-11-23-22(26-21)25-19-8-4-5-9-20(19)27-12-14-28-15-13-27/h2-11H,12-16H2,1H3,(H2,23,24,25,26)
InChIKeyAOPUKOXYIDYNMN-UHFFFAOYSA-N
XLogP3.98
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112886134
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904072
2-N-tert-butyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112899832
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210
2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109313668
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 112889811) is 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Cc1ccccc1CNc1ccnc(Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is AOPUKOXYIDYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-6-2-3-7-18(17)16-24-21-10-11-23-22(26-21)25-19-8-4-5-9-20(19)27-12-14-28-15-13-27/h2-11H,12-16H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 375.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).