6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine

C17H22N4O — CID 67695006

IUPAC6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CC(C)OC(C)C3)ncn2)c1
InChIInChI=1S/C17H22N4O/c1-12-5-4-6-15(7-12)20-16-8-17(19-11-18-16)21-9-13(2)22-14(3)10-21/h4-8,11,13-14H,9-10H2,1-3H3,(H,18,19,20)
InChIKeyXENOWMRYZSYVAU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds3

About 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine

6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 67695006) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine
PubChem CID67695006
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CC(C)OC(C)C3)ncn2)c1
InChIInChI=1S/C17H22N4O/c1-12-5-4-6-15(7-12)20-16-8-17(19-11-18-16)21-9-13(2)22-14(3)10-21/h4-8,11,13-14H,9-10H2,1-3H3,(H,18,19,20)
InChIKeyXENOWMRYZSYVAU-UHFFFAOYSA-N
XLogP3.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine
CID 70344036
4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide
CID 146107934
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112864906
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112864909
2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876539
1-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858514
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
CID 112862737
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine (CID 67695006) is 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine is Cc1cccc(Nc2cc(N3CC(C)OC(C)C3)ncn2)c1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is XENOWMRYZSYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-5-4-6-15(7-12)20-16-8-17(19-11-18-16)21-9-13(2)22-14(3)10-21/h4-8,11,13-14H,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine?
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 67695006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).