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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Related Compounds

methyl (1R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-methylcyclohexane-1-carboxylate
CID 88589843
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-1-methylcyclohexane-1-carboxylic acid
CID 141284485
methyl (2S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]bicyclo[2.2.2]octane-2-carboxylate
CID 130386212
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630356
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide
CID 79081460
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine
CID 130834678
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
methyl 7-[(2-chloro-5-fluoropyrimidin-4-yl)amino]bicyclo[3.2.2]nonane-6-carboxylate
CID 88544914
1-methyl-N-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxamide
CID 131065705
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192316
ethyl (3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]bicyclo[2.2.2]octane-2-carboxylate
CID 118087478

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).