2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide

C10H15N3O — CID 130396721

IUPAC2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1cncnc1
InChIInChI=1S/C10H15N3O/c1-10(2,3)9(14)13-6-8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyBPKOUANAYASRKH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.14
Rot. Bonds2

About 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide

2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide (PubChem CID 130396721) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide
PubChem CID130396721
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1cncnc1
InChIInChI=1S/C10H15N3O/c1-10(2,3)9(14)13-6-8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyBPKOUANAYASRKH-UHFFFAOYSA-N
XLogP1.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide
CID 134570666
carbamothioic S-acid;pyrimidin-5-ylmethylcarbamothioic S-acid
CID 89413158
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 103740122
N-[(4-carbamothioylphenyl)methyl]-2,2-dimethylpropanamide
CID 62309629
N-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 67129617
2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
CID 137394990
N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide
CID 112688824
N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 158144482
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
tert-butyl N-[(E)-4-(pyrimidin-5-ylmethylamino)but-2-enyl]carbamate
CID 107252697
5,5-dimethyl-2-(pyrimidin-5-ylmethylamino)hexanoic acid
CID 175558789
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide (CID 130396721) is 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide is CC(C)(C)C(=O)NCc1cncnc1.
What is the InChIKey of 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide?
The InChIKey is BPKOUANAYASRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2,3)9(14)13-6-8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide?
2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide has a molecular weight of 193.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide is sourced from PubChem (CID 130396721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).