3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide

C11H15N5O — CID 106277189

IUPAC3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
SMILESCc1cc(C#N)nc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C11H15N5O/c1-7-4-8(5-12)16-10(15-7)14-6-11(2,3)9(13)17/h4H,6H2,1-3H3,(H2,13,17)(H,14,15,16)
InChIKeyFBHHVANDVRJGND-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.58
Rot. Bonds4

About 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide

3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106277189) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
PubChem CID106277189
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
SMILESCc1cc(C#N)nc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C11H15N5O/c1-7-4-8(5-12)16-10(15-7)14-6-11(2,3)9(13)17/h4H,6H2,1-3H3,(H2,13,17)(H,14,15,16)
InChIKeyFBHHVANDVRJGND-UHFFFAOYSA-N
XLogP0.58
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544876
2,2-dimethyl-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 106280469
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid
CID 107543089
2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552758
1-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107543146
3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
CID 133318102
3-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]benzoic acid
CID 107542874
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 107545107
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108557
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide (CID 106277189) is 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide is Cc1cc(C#N)nc(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is FBHHVANDVRJGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-4-8(5-12)16-10(15-7)14-6-11(2,3)9(13)17/h4H,6H2,1-3H3,(H2,13,17)(H,14,15,16).
What are the key properties of 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide?
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106277189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).