2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide

C16H21N3O — CID 128707461

IUPAC2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide
SMILESCc1cc(C2CC2)nc(NC(=O)CC2CCC3CC23)n1
InChIInChI=1S/C16H21N3O/c1-9-6-14(10-2-3-10)18-16(17-9)19-15(20)8-12-5-4-11-7-13(11)12/h6,10-13H,2-5,7-8H2,1H3,(H,17,18,19,20)
InChIKeyYWUCNJJKQHMWDM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.04
Rot. Bonds4

About 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide

2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide (PubChem CID 128707461) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide
PubChem CID128707461
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide
SMILESCc1cc(C2CC2)nc(NC(=O)CC2CCC3CC23)n1
InChIInChI=1S/C16H21N3O/c1-9-6-14(10-2-3-10)18-16(17-9)19-15(20)8-12-5-4-11-7-13(11)12/h6,10-13H,2-5,7-8H2,1H3,(H,17,18,19,20)
InChIKeyYWUCNJJKQHMWDM-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide with MolForge

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Related Compounds

methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate
CID 56877631
N-(4,6-dimethylpyrimidin-2-yl)-2-piperidin-4-yloxyacetamide
CID 55250898
N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide
CID 138051189
2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
CID 162345468
4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol
CID 169441439
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
N-(4,6-dimethylpyrimidin-2-yl)-2-morpholin-2-ylacetamide
CID 66433769
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 11914356
N-[1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-(dimethylamino)acetamide
CID 156605220
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287533

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide (CID 128707461) is 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide is Cc1cc(C2CC2)nc(NC(=O)CC2CCC3CC23)n1.
What is the InChIKey of 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide?
The InChIKey is YWUCNJJKQHMWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9-6-14(10-2-3-10)18-16(17-9)19-15(20)8-12-5-4-11-7-13(11)12/h6,10-13H,2-5,7-8H2,1H3,(H,17,18,19,20).
What are the key properties of 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide?
2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[3.1.0]hexanyl)-N-(4-cyclopropyl-6-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 128707461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).