2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

C21H29N5O2 — CID 109366400

IUPAC2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NCCN3CCOCC3)nc(C)n2)c(C)c1
InChIInChI=1S/C21H29N5O2/c1-14-11-15(2)20(16(3)12-14)25-21(27)18-13-19(24-17(4)23-18)22-5-6-26-7-9-28-10-8-26/h11-13H,5-10H2,1-4H3,(H,25,27)(H,22,23,24)
InChIKeyGMSJUJZZOJLJST-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.71
Rot. Bonds6

About 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109366400) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109366400
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NCCN3CCOCC3)nc(C)n2)c(C)c1
InChIInChI=1S/C21H29N5O2/c1-14-11-15(2)20(16(3)12-14)25-21(27)18-13-19(24-17(4)23-18)22-5-6-26-7-9-28-10-8-26/h11-13H,5-10H2,1-4H3,(H,25,27)(H,22,23,24)
InChIKeyGMSJUJZZOJLJST-UHFFFAOYSA-N
XLogP2.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
2-methyl-6-(propylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109360086
2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109362132
N-(3-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366425
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109363938
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366422
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366361
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344495
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366440
2-methyl-6-(pyridin-4-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109371257
N-(2,6-dimethylphenyl)-2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 21137653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (CID 109366400) is 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is Cc1cc(C)c(NC(=O)c2cc(NCCN3CCOCC3)nc(C)n2)c(C)c1.
What is the InChIKey of 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GMSJUJZZOJLJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14-11-15(2)20(16(3)12-14)25-21(27)18-13-19(24-17(4)23-18)22-5-6-26-7-9-28-10-8-26/h11-13H,5-10H2,1-4H3,(H,25,27)(H,22,23,24).
What are the key properties of 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).