N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine

C21H22N4O — CID 112935530

IUPACN-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
SMILESCc1ccccc1Nc1cc(-c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H22N4O/c1-16-7-5-6-10-18(16)22-20-15-19(17-8-3-2-4-9-17)23-21(24-20)25-11-13-26-14-12-25/h2-10,15H,11-14H2,1H3,(H,22,23,24)
InChIKeyINYHHYRZAONVSY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.03
Rot. Bonds4

About N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine

N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine (PubChem CID 112935530) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
PubChem CID112935530
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
SMILESCc1ccccc1Nc1cc(-c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H22N4O/c1-16-7-5-6-10-18(16)22-20-15-19(17-8-3-2-4-9-17)23-21(24-20)25-11-13-26-14-12-25/h2-10,15H,11-14H2,1H3,(H,22,23,24)
InChIKeyINYHHYRZAONVSY-UHFFFAOYSA-N
XLogP4.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936397
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912329
3-[6-(4-anilino-2-methoxyanilino)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 59789664
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 112935476
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine (CID 112935530) is N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine is Cc1ccccc1Nc1cc(-c2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine?
The InChIKey is INYHHYRZAONVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-7-5-6-10-18(16)22-20-15-19(17-8-3-2-4-9-17)23-21(24-20)25-11-13-26-14-12-25/h2-10,15H,11-14H2,1H3,(H,22,23,24).
What are the key properties of N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine?
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112935530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).