2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine

C21H23N5O — CID 117087554

IUPAC2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(N3CCOCC3)cc2)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C21H23N5O/c1-15-13-20(25-21(23-15)16-3-2-4-17(22)14-16)24-18-5-7-19(8-6-18)26-9-11-27-12-10-26/h2-8,13-14H,9-12,22H2,1H3,(H,23,24,25)
InChIKeyVWMMELZDSVOXNI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.61
Rot. Bonds4

About 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine

2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine (PubChem CID 117087554) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
PubChem CID117087554
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(N3CCOCC3)cc2)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C21H23N5O/c1-15-13-20(25-21(23-15)16-3-2-4-17(22)14-16)24-18-5-7-19(8-6-18)26-9-11-27-12-10-26/h2-8,13-14H,9-12,22H2,1H3,(H,23,24,25)
InChIKeyVWMMELZDSVOXNI-UHFFFAOYSA-N
XLogP3.61
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
CID 167959813
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
2-amino-6-(3-aminophenyl)phenol;N-methyl-4-morpholin-4-ylaniline
CID 143641437
2-hydrazinyl-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80906686
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine (CID 117087554) is 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine is Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(-c2cccc(N)c2)n1.
What is the InChIKey of 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The InChIKey is VWMMELZDSVOXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-13-20(25-21(23-15)16-3-2-4-17(22)14-16)24-18-5-7-19(8-6-18)26-9-11-27-12-10-26/h2-8,13-14H,9-12,22H2,1H3,(H,23,24,25).
What are the key properties of 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 117087554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).