4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide

C15H25N3O2 — CID 118762672

IUPAC4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCCCOC(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)14-17-9-13(12(5)18-14)15(19)16-7-6-8-20-11(3)4/h9-11H,6-8H2,1-5H3,(H,16,19)
InChIKeyQQGPBIFYNXOOIL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.45
Rot. Bonds7

About 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide

4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide (PubChem CID 118762672) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
PubChem CID118762672
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCCCOC(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)14-17-9-13(12(5)18-14)15(19)16-7-6-8-20-11(3)4/h9-11H,6-8H2,1-5H3,(H,16,19)
InChIKeyQQGPBIFYNXOOIL-UHFFFAOYSA-N
XLogP2.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 100752793
4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 46345570
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080214
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196
4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide
CID 84558066
4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 56722819
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide (CID 118762672) is 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)NCCCOC(C)C.
What is the InChIKey of 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide?
The InChIKey is QQGPBIFYNXOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)14-17-9-13(12(5)18-14)15(19)16-7-6-8-20-11(3)4/h9-11H,6-8H2,1-5H3,(H,16,19).
What are the key properties of 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide?
4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 118762672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).