1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide

C10H13ClN4O — CID 63736298

IUPAC1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1c(Cl)ncnc1N1CCCC1C(N)=O
InChIInChI=1S/C10H13ClN4O/c1-6-8(11)13-5-14-10(6)15-4-2-3-7(15)9(12)16/h5,7H,2-4H2,1H3,(H2,12,16)
InChIKeyOJHGKGDGKMOTIV-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.89
Rot. Bonds2

About 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 63736298) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID63736298
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1c(Cl)ncnc1N1CCCC1C(N)=O
InChIInChI=1S/C10H13ClN4O/c1-6-8(11)13-5-14-10(6)15-4-2-3-7(15)9(12)16/h5,7H,2-4H2,1H3,(H2,12,16)
InChIKeyOJHGKGDGKMOTIV-UHFFFAOYSA-N
XLogP0.89
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
1-(5-amino-3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 62477721
1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 133424932
(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 9113223
6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide
CID 118336748
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765393
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-(6-amino-2,5-dimethylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80806267
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829671
1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80932532
(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidine-2-carboxamide
CID 142498380

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 63736298) is 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide is Cc1c(Cl)ncnc1N1CCCC1C(N)=O.
What is the InChIKey of 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is OJHGKGDGKMOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-8(11)13-5-14-10(6)15-4-2-3-7(15)9(12)16/h5,7H,2-4H2,1H3,(H2,12,16).
What are the key properties of 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 63736298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).