N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide

C21H26N6O3S — CID 156885909

IUPACN-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-c3cncs3)n2)CC1
InChIInChI=1S/C21H26N6O3S/c1-27-12-14(10-23-27)17-9-18(26-20(25-17)19-11-22-13-31-19)21(28)24-15-3-5-16(6-4-15)30-8-7-29-2/h9-13,15-16H,3-8H2,1-2H3,(H,24,28)
InChIKeySYUVOKDGEFQUSU-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.70
Rot. Bonds8

About N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide

N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 156885909) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
PubChem CID156885909
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC NameN-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-c3cncs3)n2)CC1
InChIInChI=1S/C21H26N6O3S/c1-27-12-14(10-23-27)17-9-18(26-20(25-17)19-11-22-13-31-19)21(28)24-15-3-5-16(6-4-15)30-8-7-29-2/h9-13,15-16H,3-8H2,1-2H3,(H,24,28)
InChIKeySYUVOKDGEFQUSU-UHFFFAOYSA-N
XLogP2.70
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 156885752
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 156885798
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 156885803
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 156885939
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 166626920
N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 168296139
US9777000, Example 5.11
CID 90383250
US11535621, Example 32
CID 155598594
US11535621, Example 50
CID 155786375
N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 168292021
1-(1-methyl-3-phenyl-1H-pyrazole-5-carbonyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 49676980
1-benzyl-5-[(2,6-dimethyl-4-pyrimidinyl)carbonyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26145436

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide (CID 156885909) is N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide is COCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-c3cncs3)n2)CC1.
What is the InChIKey of N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is SYUVOKDGEFQUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-27-12-14(10-23-27)17-9-18(26-20(25-17)19-11-22-13-31-19)21(28)24-15-3-5-16(6-4-15)30-8-7-29-2/h9-13,15-16H,3-8H2,1-2H3,(H,24,28).
What are the key properties of N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 156885909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).