5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine

C13H21N7O — CID 72927426

IUPAC5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCc1nncn1CCOC
InChIInChI=1S/C13H21N7O/c1-4-10-9(2)17-13(14)18-12(10)15-7-11-19-16-8-20(11)5-6-21-3/h8H,4-7H2,1-3H3,(H3,14,15,17,18)
InChIKeyVKOYPSNMCCSRJY-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.78
Rot. Bonds7

About 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine

5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 72927426) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID72927426
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCc1nncn1CCOC
InChIInChI=1S/C13H21N7O/c1-4-10-9(2)17-13(14)18-12(10)15-7-11-19-16-8-20(11)5-6-21-3/h8H,4-7H2,1-3H3,(H3,14,15,17,18)
InChIKeyVKOYPSNMCCSRJY-UHFFFAOYSA-N
XLogP0.78
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[2-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethyl]morpholine
CID 12671250
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~-{[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-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6-trimethylpyrimidin-4-amine
CID 72853847
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine
CID 97148960
[5-[(3S)-1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 97208414
6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 164633271
6-ethyl-5-fluoro-N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrimidin-4-amine
CID 131939242
N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~2~,N~2~-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132413390
5-fluoro-4-morpholin-4-yl-N-[2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 132425757

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine (CID 72927426) is 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine is CCc1c(C)nc(N)nc1NCc1nncn1CCOC.
What is the InChIKey of 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is VKOYPSNMCCSRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-10-9(2)17-13(14)18-12(10)15-7-11-19-16-8-20(11)5-6-21-3/h8H,4-7H2,1-3H3,(H3,14,15,17,18).
What are the key properties of 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72927426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).