1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide

C9H10ClN3O — CID 171832889

IUPAC1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCc1ncnc(Cl)c1C1(C(N)=O)CC1
InChIInChI=1S/C9H10ClN3O/c1-5-6(7(10)13-4-12-5)9(2-3-9)8(11)14/h4H,2-3H2,1H3,(H2,11,14)
InChIKeyGGRDXHJXKJUCEK-UHFFFAOYSA-N
MW211.65 g/mol
LogP0.96
Rot. Bonds2

About 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide

1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide (PubChem CID 171832889) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
PubChem CID171832889
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCc1ncnc(Cl)c1C1(C(N)=O)CC1
InChIInChI=1S/C9H10ClN3O/c1-5-6(7(10)13-4-12-5)9(2-3-9)8(11)14/h4H,2-3H2,1H3,(H2,11,14)
InChIKeyGGRDXHJXKJUCEK-UHFFFAOYSA-N
XLogP0.96
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide
CID 87758790
5-(6-Chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide
CID 87758792
4-Chloro-5-cyclopropyl-6-methylpyrimidine
CID 165795796
1-(6-Chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171758525
1-(4-Methylpyrimidin-5-yl)cyclopropane-1-carboxamide
CID 171832956
1-(5-Chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171833000
1-(4-Chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide
CID 171833079
1-(4-Chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
CID 171833157
Methyl 1-(4-chloro-6-methylpyrimidin-5-yl)-2,2,3,3-tetradeuteriocyclopropane-1-carboxylate
CID 172063993
1-(4-Chloro-6-methylpyrimidin-5-yl)-2,2,3,3-tetradeuteriocyclopropane-1-carboxylic acid
CID 172063995
Methyl 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxylate
CID 176057142
4-Chloro-6-methyl-5-(1-methylcyclopropyl)pyrimidine;ethane
CID 176962352

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide (CID 171832889) is 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide is Cc1ncnc(Cl)c1C1(C(N)=O)CC1.
What is the InChIKey of 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is GGRDXHJXKJUCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-5-6(7(10)13-4-12-5)9(2-3-9)8(11)14/h4H,2-3H2,1H3,(H2,11,14).
What are the key properties of 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 211.65 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171832889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).