1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide

C10H14N4O — CID 118008531

IUPAC1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESCN1CCCC1(C(N)=O)c1ccncn1
InChIInChI=1S/C10H14N4O/c1-14-6-2-4-10(14,9(11)15)8-3-5-12-7-13-8/h3,5,7H,2,4,6H2,1H3,(H2,11,15)
InChIKeyJPKNGOCNPRTXSF-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.12
Rot. Bonds2

About 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide

1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 118008531) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide
PubChem CID118008531
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESCN1CCCC1(C(N)=O)c1ccncn1
InChIInChI=1S/C10H14N4O/c1-14-6-2-4-10(14,9(11)15)8-3-5-12-7-13-8/h3,5,7H,2,4,6H2,1H3,(H2,11,15)
InChIKeyJPKNGOCNPRTXSF-UHFFFAOYSA-N
XLogP-0.12
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide (CID 118008531) is 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide is CN1CCCC1(C(N)=O)c1ccncn1.
What is the InChIKey of 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is JPKNGOCNPRTXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14-6-2-4-10(14,9(11)15)8-3-5-12-7-13-8/h3,5,7H,2,4,6H2,1H3,(H2,11,15).
What are the key properties of 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide?
1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 206.25 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrimidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118008531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).