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

C16H27N5O2 — CID 109362132

IUPAC2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN2CCOCC2)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H27N5O2/c1-12(2)11-18-16(22)14-10-15(20-13(3)19-14)17-4-5-21-6-8-23-9-7-21/h10,12H,4-9,11H2,1-3H3,(H,18,22)(H,17,19,20)
InChIKeyGNPHPCVXIPUEME-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.91
Rot. Bonds7

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

2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109362132) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109362132
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN2CCOCC2)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H27N5O2/c1-12(2)11-18-16(22)14-10-15(20-13(3)19-14)17-4-5-21-6-8-23-9-7-21/h10,12H,4-9,11H2,1-3H3,(H,18,22)(H,17,19,20)
InChIKeyGNPHPCVXIPUEME-UHFFFAOYSA-N
XLogP0.91
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852426
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366400
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109111166
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366361
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109363938
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366422
N-(3-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366425
6-(2-methylpropylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109110974
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109362188
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109362132) is 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is Cc1nc(NCCN2CCOCC2)cc(C(=O)NCC(C)C)n1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is GNPHPCVXIPUEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12(2)11-18-16(22)14-10-15(20-13(3)19-14)17-4-5-21-6-8-23-9-7-21/h10,12H,4-9,11H2,1-3H3,(H,18,22)(H,17,19,20).
What are the key properties of 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).