2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide

C12H17N5O — CID 107545107

IUPAC2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCc1cc(C#N)nc(NCC(=O)NCC(C)C)n1
InChIInChI=1S/C12H17N5O/c1-8(2)6-14-11(18)7-15-12-16-9(3)4-10(5-13)17-12/h4,8H,6-7H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyJOCBXIZQNPVFDI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.84
Rot. Bonds5

About 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide

2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 107545107) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID107545107
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCc1cc(C#N)nc(NCC(=O)NCC(C)C)n1
InChIInChI=1S/C12H17N5O/c1-8(2)6-14-11(18)7-15-12-16-9(3)4-10(5-13)17-12/h4,8H,6-7H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyJOCBXIZQNPVFDI-UHFFFAOYSA-N
XLogP0.84
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108557
(2R)-2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 122049258
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethylacetamide
CID 43420785
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545210
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277189
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 47095842
1-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107543146
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
CID 106115688
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
2-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107543046

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide (CID 107545107) is 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide is Cc1cc(C#N)nc(NCC(=O)NCC(C)C)n1.
What is the InChIKey of 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is JOCBXIZQNPVFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)6-14-11(18)7-15-12-16-9(3)4-10(5-13)17-12/h4,8H,6-7H2,1-3H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 107545107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).