6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C17H22N4O — CID 112857101

IUPAC6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCOCC3)ncn2)c(C)c1
InChIInChI=1S/C17H22N4O/c1-12-8-13(2)17(14(3)9-12)20-15-10-16(19-11-18-15)21-4-6-22-7-5-21/h8-11H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyMVKNPESXSKKVMC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.98
Rot. Bonds3

About 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 112857101) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID112857101
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCOCC3)ncn2)c(C)c1
InChIInChI=1S/C17H22N4O/c1-12-8-13(2)17(14(3)9-12)20-15-10-16(19-11-18-15)21-4-6-22-7-5-21/h8-11H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyMVKNPESXSKKVMC-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857972
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112863311
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856110
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857173
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 112857101) is 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is Cc1cc(C)c(Nc2cc(N3CCOCC3)ncn2)c(C)c1.
What is the InChIKey of 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is MVKNPESXSKKVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-8-13(2)17(14(3)9-12)20-15-10-16(19-11-18-15)21-4-6-22-7-5-21/h8-11H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112857101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).