2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide

C11H18N4O2 — CID 114220427

IUPAC2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCOC(C)C)nc(N)n1
InChIInChI=1S/C11H18N4O2/c1-7(2)17-5-4-13-10(16)9-6-8(3)14-11(12)15-9/h6-7H,4-5H2,1-3H3,(H,13,16)(H2,12,14,15)
InChIKeyUGRQDEAQDWGQBE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide

2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide (PubChem CID 114220427) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
PubChem CID114220427
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCOC(C)C)nc(N)n1
InChIInChI=1S/C11H18N4O2/c1-7(2)17-5-4-13-10(16)9-6-8(3)14-11(12)15-9/h6-7H,4-5H2,1-3H3,(H,13,16)(H2,12,14,15)
InChIKeyUGRQDEAQDWGQBE-UHFFFAOYSA-N
XLogP0.52
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 82171955
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
2-amino-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765569
2-propan-2-yloxyethylurea
CID 22179539
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
2-amino-6-methyl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
CID 114220494
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate
CID 97353365

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide (CID 114220427) is 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCOC(C)C)nc(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide?
The InChIKey is UGRQDEAQDWGQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)17-5-4-13-10(16)9-6-8(3)14-11(12)15-9/h6-7H,4-5H2,1-3H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide?
2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 114220427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).