N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide

C9H9ClFN3O — CID 130593845

IUPACN-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C9H9ClFN3O/c1-9(2-3-9)7(15)13-6-5(11)4-12-8(10)14-6/h4H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyDEQPBXVFBDHCFQ-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.01
Rot. Bonds2

About N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide

N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide (PubChem CID 130593845) has the molecular formula C9H9ClFN3O and a molecular weight of 229.64 g/mol. Its IUPAC name is N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide
PubChem CID130593845
Molecular FormulaC9H9ClFN3O
Molecular Weight229.64 g/mol
Exact Mass229.04
IUPAC NameN-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C9H9ClFN3O/c1-9(2-3-9)7(15)13-6-5(11)4-12-8(10)14-6/h4H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyDEQPBXVFBDHCFQ-UHFFFAOYSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide (CID 130593845) is N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2nc(Cl)ncc2F)CC1.
What is the InChIKey of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is DEQPBXVFBDHCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O/c1-9(2-3-9)7(15)13-6-5(11)4-12-8(10)14-6/h4H,2-3H2,1H3,(H,12,13,14,15).
What are the key properties of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide?
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 229.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130593845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).