N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide

C14H20N6O2 — CID 118783041

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCOCCn1cnnc1CNC(=O)c1cnc(C(C)C)nc1
InChIInChI=1S/C14H20N6O2/c1-10(2)13-15-6-11(7-16-13)14(21)17-8-12-19-18-9-20(12)4-5-22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,21)
InChIKeyDYESPAKOJDFTBG-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.77
Rot. Bonds7

About N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 118783041) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID118783041
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCOCCn1cnnc1CNC(=O)c1cnc(C(C)C)nc1
InChIInChI=1S/C14H20N6O2/c1-10(2)13-15-6-11(7-16-13)14(21)17-8-12-19-18-9-20(12)4-5-22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,21)
InChIKeyDYESPAKOJDFTBG-UHFFFAOYSA-N
XLogP0.77
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

{1-[4-amino-5-bromo-6-(ethylamino)pyrimidin-2-yl]-1H-pyrazole-4-yl}(morpholino)methanone
CID 77107697
US11344549, Example 25
CID 165112238
N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~,5-dimethylpyrimidine-2,4-diamine
CID 72871282
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97390342
2-(ethylamino)-N-{trans-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}pyrimidine-5-carboxamide
CID 91795524
N-(2-Methoxyethyl)-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 20863909
6-[(Diethylamino)methyl]-N-[(2R)-2-hydroxypropyl]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56701893
6-[(diethylamino)methyl]-N-(2-hydroxy-1-methylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758821
2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-pyrimidinecarboxamide
CID 72928477
N-[(3S*,4S*)-4-ethoxy-1-methyl-3-pyrrolidinyl]-2-ethyl-5-pyrimidinecarboxamide
CID 72932270
1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 86784887

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 118783041) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide is COCCn1cnnc1CNC(=O)c1cnc(C(C)C)nc1.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is DYESPAKOJDFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10(2)13-15-6-11(7-16-13)14(21)17-8-12-19-18-9-20(12)4-5-22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,21).
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 118783041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).