trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide

C15H23N3O — CID 119066569

IUPACtrans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCCCC[C@@H]1C[C@@H]1C(=O)NCc1nc(C)cc(C)n1
InChIInChI=1S/C15H23N3O/c1-4-5-6-12-8-13(12)15(19)16-9-14-17-10(2)7-11(3)18-14/h7,12-13H,4-6,8-9H2,1-3H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyJGAUAVZQNSCCJX-OLZOCXBDSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds6

About trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide

trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 119066569) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID119066569
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Nametrans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCCCC[C@@H]1C[C@@H]1C(=O)NCc1nc(C)cc(C)n1
InChIInChI=1S/C15H23N3O/c1-4-5-6-12-8-13(12)15(19)16-9-14-17-10(2)7-11(3)18-14/h7,12-13H,4-6,8-9H2,1-3H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyJGAUAVZQNSCCJX-OLZOCXBDSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide (CID 119066569) is trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide is CCCC[C@@H]1C[C@@H]1C(=O)NCc1nc(C)cc(C)n1.
What is the InChIKey of trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is JGAUAVZQNSCCJX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-5-6-12-8-13(12)15(19)16-9-14-17-10(2)7-11(3)18-14/h7,12-13H,4-6,8-9H2,1-3H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide?
trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-butyl-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119066569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).