N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine

C21H22N4O — CID 112935415

IUPACN-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1nc(-c2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H22N4O/c1-24(18-10-6-3-7-11-18)21-22-19(17-8-4-2-5-9-17)16-20(23-21)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3
InChIKeyVRRKNOFQAHBBDZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.75
Rot. Bonds4

About N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine

N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine (PubChem CID 112935415) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
PubChem CID112935415
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1nc(-c2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H22N4O/c1-24(18-10-6-3-7-11-18)21-22-19(17-8-4-2-5-9-17)16-20(23-21)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3
InChIKeyVRRKNOFQAHBBDZ-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382
2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955716
N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934155
N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine
CID 112913848
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
CID 165432105
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine?
The IUPAC name of N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine (CID 112935415) is N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine?
The canonical SMILES for N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine is CN(c1ccccc1)c1nc(-c2ccccc2)cc(N2CCOCC2)n1.
What is the InChIKey of N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine?
The InChIKey is VRRKNOFQAHBBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24(18-10-6-3-7-11-18)21-22-19(17-8-4-2-5-9-17)16-20(23-21)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3.
What are the key properties of N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine?
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine is sourced from PubChem (CID 112935415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).