6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide

C16H22N6O — CID 102604124

IUPAC6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc(C2(C)CCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C16H22N6O/c1-11-7-13(14(17)23)20-15(19-11)16(2)5-4-6-22(16)10-12-8-18-21(3)9-12/h7-9H,4-6,10H2,1-3H3,(H2,17,23)
InChIKeyMKXTUZDIXWSOTG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.13
Rot. Bonds4

About 6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide

6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 102604124) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID102604124
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc(C2(C)CCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C16H22N6O/c1-11-7-13(14(17)23)20-15(19-11)16(2)5-4-6-22(16)10-12-8-18-21(3)9-12/h7-9H,4-6,10H2,1-3H3,(H2,17,23)
InChIKeyMKXTUZDIXWSOTG-UHFFFAOYSA-N
XLogP1.13
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.13
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-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 102604124) is 6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide is Cc1cc(C(N)=O)nc(C2(C)CCCN2Cc2cnn(C)c2)n1.
What is the InChIKey of 6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is MKXTUZDIXWSOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-7-13(14(17)23)20-15(19-11)16(2)5-4-6-22(16)10-12-8-18-21(3)9-12/h7-9H,4-6,10H2,1-3H3,(H2,17,23).
What are the key properties of 6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide?
6-methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.13, 4 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-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 102604124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).