6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

C16H20N6O2 — CID 110272192

IUPAC6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc(C2(C)CCCN2C(=O)c2ccnn2C)n1
InChIInChI=1S/C16H20N6O2/c1-10-9-11(13(17)23)20-15(19-10)16(2)6-4-8-22(16)14(24)12-5-7-18-21(12)3/h5,7,9H,4,6,8H2,1-3H3,(H2,17,23)
InChIKeyMWGCOHPXIUXZOV-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.77
Rot. Bonds3

About 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 110272192) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID110272192
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc(C2(C)CCCN2C(=O)c2ccnn2C)n1
InChIInChI=1S/C16H20N6O2/c1-10-9-11(13(17)23)20-15(19-10)16(2)6-4-8-22(16)14(24)12-5-7-18-21(12)3/h5,7,9H,4,6,8H2,1-3H3,(H2,17,23)
InChIKeyMWGCOHPXIUXZOV-UHFFFAOYSA-N
XLogP0.77
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 110272192) is 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is Cc1cc(C(N)=O)nc(C2(C)CCCN2C(=O)c2ccnn2C)n1.
What is the InChIKey of 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is MWGCOHPXIUXZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10-9-11(13(17)23)20-15(19-10)16(2)6-4-8-22(16)14(24)12-5-7-18-21(12)3/h5,7,9H,4,6,8H2,1-3H3,(H2,17,23).
What are the key properties of 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110272192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).