5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

C11H18N4O — CID 62155107

IUPAC5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCN(C)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C11H18N4O/c1-5-15(4)11(16)9-8(12)6-13-10(14-9)7(2)3/h6-7H,5,12H2,1-4H3
InChIKeyMVIOFDVQQNPJIP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.27
Rot. Bonds3

About 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62155107) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62155107
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCN(C)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C11H18N4O/c1-5-15(4)11(16)9-8(12)6-13-10(14-9)7(2)3/h6-7H,5,12H2,1-4H3
InChIKeyMVIOFDVQQNPJIP-UHFFFAOYSA-N
XLogP1.27
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 81074196
5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79864352
5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 55041532
5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 63275010
5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 62156181
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186030
5-amino-N-methyl-2-propan-2-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 106937249
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107486025
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65042334
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186023

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62155107) is 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is CCN(C)C(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MVIOFDVQQNPJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-5-15(4)11(16)9-8(12)6-13-10(14-9)7(2)3/h6-7H,5,12H2,1-4H3.
What are the key properties of 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62155107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).