1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide

C9H10ClN3O — CID 171833000

IUPAC1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
SMILESCc1ncc(Cl)c(C2(C(N)=O)CC2)n1
InChIInChI=1S/C9H10ClN3O/c1-5-12-4-6(10)7(13-5)9(2-3-9)8(11)14/h4H,2-3H2,1H3,(H2,11,14)
InChIKeyCYZQAAFLESEGKD-UHFFFAOYSA-N
MW211.65 g/mol
LogP0.96
Rot. Bonds2

About 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide

1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 171833000) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
PubChem CID171833000
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
SMILESCc1ncc(Cl)c(C2(C(N)=O)CC2)n1
InChIInChI=1S/C9H10ClN3O/c1-5-12-4-6(10)7(13-5)9(2-3-9)8(11)14/h4H,2-3H2,1H3,(H2,11,14)
InChIKeyCYZQAAFLESEGKD-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

2-(2-Chloro-5-fluoropyrimidin-4-yl)-3-methylbutanamide
CID 166756913
2-(2-Chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide
CID 166756934
1-(2-Chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide
CID 166756948
2-(2-Tert-butyl-5-fluoropyrimidin-4-yl)acetamide
CID 167216137
(3S)-1-[2-(5-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
CID 172908599
1-[1-[5-Chloro-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]ethyl]cyclopropane-1-carboxamide
CID 90039513
1-[2-[2-(2,5-Dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide
CID 123341744
1-[2-[1-(2,5-Dichloropyrimidin-4-yl)propyl]-1-methylcyclopropyl]ethanone
CID 123597799
1-Pyrimidin-4-ylcyclopropane-1-carboxamide
CID 134209215
1-[(2E,4Z)-4-[2-(2,5-dichloropyrimidin-4-yl)ethyl]hepta-2,4-dien-3-yl]cyclopropane-1-carboxamide
CID 144572125
1-[6-[2-(2,5-Dichloropyrimidin-4-yl)ethyl]cyclohexa-1,5-dien-1-yl]cyclopropane-1-carboxamide
CID 144572171
4-Tert-butyl-5-chloro-2-methylpyrimidine
CID 146376754

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide (CID 171833000) is 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide is Cc1ncc(Cl)c(C2(C(N)=O)CC2)n1.
What is the InChIKey of 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is CYZQAAFLESEGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-5-12-4-6(10)7(13-5)9(2-3-9)8(11)14/h4H,2-3H2,1H3,(H2,11,14).
What are the key properties of 1-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide?
1-(5-chloro-2-methylpyrimidin-4-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-(5-chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171833000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).