1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

C15H23N5O — CID 80987629

IUPAC1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C15H23N5O/c1-9-12(16-2)18-13(10-6-7-10)19-14(9)20-8-4-5-11(20)15(21)17-3/h10-11H,4-8H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyUSAKUMCANKZWCA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 80987629) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID80987629
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C15H23N5O/c1-9-12(16-2)18-13(10-6-7-10)19-14(9)20-8-4-5-11(20)15(21)17-3/h10-11H,4-8H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyUSAKUMCANKZWCA-UHFFFAOYSA-N
XLogP1.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 80987629) is 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nc(C2CC2)nc(NC)c1C.
What is the InChIKey of 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is USAKUMCANKZWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9-12(16-2)18-13(10-6-7-10)19-14(9)20-8-4-5-11(20)15(21)17-3/h10-11H,4-8H2,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80987629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).