2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide

C18H20N8O — CID 121137226

IUPAC2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccnc(N3CCCC3)n2)cc(-n2cccn2)n1
InChIInChI=1S/C18H20N8O/c1-13-22-15(11-16(23-13)26-10-4-6-21-26)17(27)20-12-14-5-7-19-18(24-14)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,27)
InChIKeyNVLBZXKXKGUZMF-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.29
Rot. Bonds5

About 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide

2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 121137226) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide
PubChem CID121137226
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccnc(N3CCCC3)n2)cc(-n2cccn2)n1
InChIInChI=1S/C18H20N8O/c1-13-22-15(11-16(23-13)26-10-4-6-21-26)17(27)20-12-14-5-7-19-18(24-14)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,27)
InChIKeyNVLBZXKXKGUZMF-UHFFFAOYSA-N
XLogP1.29
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
CID 91967333
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122352001
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
CID 91967334
4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122352085
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122353078
3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
6-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369680
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide
CID 91967033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide (CID 121137226) is 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccnc(N3CCCC3)n2)cc(-n2cccn2)n1.
What is the InChIKey of 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is NVLBZXKXKGUZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-13-22-15(11-16(23-13)26-10-4-6-21-26)17(27)20-12-14-5-7-19-18(24-14)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,27).
What are the key properties of 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide?
2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121137226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).