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

C12H17N5O — CID 107544113

IUPAC2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide
SMILESCc1cc(C#N)nc(N(CC(N)=O)CC(C)C)n1
InChIInChI=1S/C12H17N5O/c1-8(2)6-17(7-11(14)18)12-15-9(3)4-10(5-13)16-12/h4,8H,6-7H2,1-3H3,(H2,14,18)
InChIKeyXXTSEVLKSZMOKU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.60
Rot. Bonds5

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

2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 107544113) 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)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide
PubChem CID107544113
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide
SMILESCc1cc(C#N)nc(N(CC(N)=O)CC(C)C)n1
InChIInChI=1S/C12H17N5O/c1-8(2)6-17(7-11(14)18)12-15-9(3)4-10(5-13)16-12/h4,8H,6-7H2,1-3H3,(H2,14,18)
InChIKeyXXTSEVLKSZMOKU-UHFFFAOYSA-N
XLogP0.60
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]propanoic acid
CID 107542940
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 103468035
3-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]butanoic acid
CID 107542951
2-[tert-butyl-(4-cyano-6-methylpyrimidin-2-yl)amino]acetic acid
CID 107543072
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid
CID 107542920
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide
CID 80821043
2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide
CID 66276488
2-[2-cyano-4-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 63669381
2-[2-bromo-4-cyano-N-(2-methylpropyl)anilino]acetamide
CID 82798023

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide (CID 107544113) is 2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide is Cc1cc(C#N)nc(N(CC(N)=O)CC(C)C)n1.
What is the InChIKey of 2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is XXTSEVLKSZMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)6-17(7-11(14)18)12-15-9(3)4-10(5-13)16-12/h4,8H,6-7H2,1-3H3,(H2,14,18).
What are the key properties of 2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide?
2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 107544113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).