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

C14H23N7O — CID 72858141

IUPAC6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N(C)Cc2nncn2CCOC)c1C
InChIInChI=1S/C14H23N7O/c1-5-11-10(2)13(18-14(15)17-11)20(3)8-12-19-16-9-21(12)6-7-22-4/h9H,5-8H2,1-4H3,(H2,15,17,18)
InChIKeyZRFAYBWZLYGNTK-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.80
Rot. Bonds7

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

6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 72858141) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID72858141
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N(C)Cc2nncn2CCOC)c1C
InChIInChI=1S/C14H23N7O/c1-5-11-10(2)13(18-14(15)17-11)20(3)8-12-19-16-9-21(12)6-7-22-4/h9H,5-8H2,1-4H3,(H2,15,17,18)
InChIKeyZRFAYBWZLYGNTK-UHFFFAOYSA-N
XLogP0.80
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-N-butyl-6-methyl-5-[3-(1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271031
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
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 72044444
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
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6-trimethylpyrimidin-4-amine
CID 72853847
6-isopropyl-N~4~-methyl-N~4~-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 72877213
5-ethyl-N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927426
6-ethyl-5-methyl-N~4~-[3-(4H-1,2,4-triazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 72929761
[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
2-[3-Propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol
CID 131889168

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine (CID 72858141) is 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N(C)Cc2nncn2CCOC)c1C.
What is the InChIKey of 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is ZRFAYBWZLYGNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-5-11-10(2)13(18-14(15)17-11)20(3)8-12-19-16-9-21(12)6-7-22-4/h9H,5-8H2,1-4H3,(H2,15,17,18).
What are the key properties of 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 305.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-4-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 72858141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).