N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine

C13H20N6O — CID 72853847

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine
SMILESCOCCn1cnnc1CNc1nc(C)nc(C)c1C
InChIInChI=1S/C13H20N6O/c1-9-10(2)16-11(3)17-13(9)14-7-12-18-15-8-19(12)5-6-20-4/h8H,5-7H2,1-4H3,(H,14,16,17)
InChIKeyLQSCTVGZKDWSGX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.25
Rot. Bonds6

About N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine (PubChem CID 72853847) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine
PubChem CID72853847
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine
SMILESCOCCn1cnnc1CNc1nc(C)nc(C)c1C
InChIInChI=1S/C13H20N6O/c1-9-10(2)16-11(3)17-13(9)14-7-12-18-15-8-19(12)5-6-20-4/h8H,5-7H2,1-4H3,(H,14,16,17)
InChIKeyLQSCTVGZKDWSGX-UHFFFAOYSA-N
XLogP1.25
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 51105033
2-ethyl-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine dihydrochloride
CID 56898083
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56899168
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
CID 72841747
N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72854321
6-ethyl-N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~,5-dimethylpyrimidine-2,4-diamine
CID 72858141
N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine
CID 51105032
4-{5,6-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}morpholine
CID 53017021
4-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 53553077
5-ethyl-N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927426
4-{4-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl}-5,6-dimethylpyrimidine
CID 91840725
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine
CID 97148960

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine (CID 72853847) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine is COCCn1cnnc1CNc1nc(C)nc(C)c1C.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine?
The InChIKey is LQSCTVGZKDWSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-10(2)16-11(3)17-13(9)14-7-12-18-15-8-19(12)5-6-20-4/h8H,5-7H2,1-4H3,(H,14,16,17).
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,5,6-trimethylpyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 1.25, 6 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]-2,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 72853847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).