trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide

C9H10FN3O — CID 167228817

IUPACtrans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1nccc(CF)n1
InChIInChI=1S/C9H10FN3O/c10-4-5-1-2-12-9(13-5)7-3-6(7)8(11)14/h1-2,6-7H,3-4H2,(H2,11,14)/t6-,7-/m0/s1
InChIKeyCGQIDZYELVHMHG-BQBZGAKWSA-N
MW195.20 g/mol
LogP0.53
Rot. Bonds3

About trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide (PubChem CID 167228817) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide
PubChem CID167228817
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Nametrans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1nccc(CF)n1
InChIInChI=1S/C9H10FN3O/c10-4-5-1-2-12-9(13-5)7-3-6(7)8(11)14/h1-2,6-7H,3-4H2,(H2,11,14)/t6-,7-/m0/s1
InChIKeyCGQIDZYELVHMHG-BQBZGAKWSA-N
XLogP0.53
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide (CID 167228817) is trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide is NC(=O)[C@H]1C[C@@H]1c1nccc(CF)n1.
What is the InChIKey of trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is CGQIDZYELVHMHG-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H10FN3O/c10-4-5-1-2-12-9(13-5)7-3-6(7)8(11)14/h1-2,6-7H,3-4H2,(H2,11,14)/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 195.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167228817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).