N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide

C13H21N3O — CID 60600626

IUPACN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide
SMILESCCCCC(=O)Nc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-5-6-7-12(17)15-11-8-10(4)14-13(16-11)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,15,16,17)
InChIKeyMEWGFZONYSHLNP-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.04
Rot. Bonds5

About N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide

N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide (PubChem CID 60600626) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide.

Molecular Properties

Compound NameN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide
PubChem CID60600626
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide
SMILESCCCCC(=O)Nc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-5-6-7-12(17)15-11-8-10(4)14-13(16-11)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,15,16,17)
InChIKeyMEWGFZONYSHLNP-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)hexanamide
CID 5075598
N-(4,6-dimethyl-2-pyridinyl)nonanamide
CID 4047413
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817
5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate
CID 6969751
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450378
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide?
The IUPAC name of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide (CID 60600626) is N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide.
What is the SMILES notation for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide?
The canonical SMILES for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide is CCCCC(=O)Nc1cc(C)nc(C(C)C)n1.
What is the InChIKey of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide?
The InChIKey is MEWGFZONYSHLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-6-7-12(17)15-11-8-10(4)14-13(16-11)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,15,16,17).
What are the key properties of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide?
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide is sourced from PubChem (CID 60600626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).