N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide

C17H20N8O — CID 91967033

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)c2cc(-n3cccn3)nc(C)n2)n1
InChIInChI=1S/C17H20N8O/c1-11-8-15(24(3)4)23-14(20-11)10-18-17(26)13-9-16(22-12(2)21-13)25-7-5-6-19-25/h5-9H,10H2,1-4H3,(H,18,26)
InChIKeyQQOZJVUEZPSHNN-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.07
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide (PubChem CID 91967033) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide
PubChem CID91967033
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)c2cc(-n3cccn3)nc(C)n2)n1
InChIInChI=1S/C17H20N8O/c1-11-8-15(24(3)4)23-14(20-11)10-18-17(26)13-9-16(22-12(2)21-13)25-7-5-6-19-25/h5-9H,10H2,1-4H3,(H,18,26)
InChIKeyQQOZJVUEZPSHNN-UHFFFAOYSA-N
XLogP1.07
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide
CID 121137226
2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
CID 91967333
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
CID 91966955
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 122322313
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 122322257
N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide
CID 56724484
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122322316
5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide
CID 122322208
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
CID 91966981
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-nitrobenzamide
CID 122322439
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122322312
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 122322239

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide (CID 91967033) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide is Cc1cc(N(C)C)nc(CNC(=O)c2cc(-n3cccn3)nc(C)n2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is QQOZJVUEZPSHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-11-8-15(24(3)4)23-14(20-11)10-18-17(26)13-9-16(22-12(2)21-13)25-7-5-6-19-25/h5-9H,10H2,1-4H3,(H,18,26).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91967033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).