4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine

C19H26N4O — CID 167974129

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1ccc(CNc2nc(C)cc(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1
InChIInChI=1S/C19H26N4O/c1-13-5-7-17(8-6-13)10-20-19-21-14(2)9-18(22-19)23-11-15(3)24-16(4)12-23/h5-9,15-16H,10-12H2,1-4H3,(H,20,21,22)/t15-,16+
InChIKeyOXEPPTXWQLUPMV-IYBDPMFKSA-N
MW326.44 g/mol
LogP3.32
Rot. Bonds4

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 167974129) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID167974129
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1ccc(CNc2nc(C)cc(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1
InChIInChI=1S/C19H26N4O/c1-13-5-7-17(8-6-13)10-20-19-21-14(2)9-18(22-19)23-11-15(3)24-16(4)12-23/h5-9,15-16H,10-12H2,1-4H3,(H,20,21,22)/t15-,16+
InChIKeyOXEPPTXWQLUPMV-IYBDPMFKSA-N
XLogP3.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
CID 7390893
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674413
2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 92651656
N-[(4-chlorophenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112918084
4-(3,5-dimethylpiperidin-1-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80766891
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine (CID 167974129) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine is Cc1ccc(CNc2nc(C)cc(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is OXEPPTXWQLUPMV-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-5-7-17(8-6-13)10-20-19-21-14(2)9-18(22-19)23-11-15(3)24-16(4)12-23/h5-9,15-16H,10-12H2,1-4H3,(H,20,21,22)/t15-,16+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 326.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 167974129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).