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

C11H17N7 — CID 80821782

IUPAC6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2nncn2C)c1C
InChIInChI=1S/C11H17N7/c1-4-12-10-8(2)11(15-6-14-10)13-5-9-17-16-7-18(9)3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyOKNDRLCOUCTFKN-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.96
Rot. Bonds5

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

6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80821782) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80821782
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2nncn2C)c1C
InChIInChI=1S/C11H17N7/c1-4-12-10-8(2)11(15-6-14-10)13-5-9-17-16-7-18(9)3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyOKNDRLCOUCTFKN-UHFFFAOYSA-N
XLogP0.96
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80822122
6-N,2,5-trimethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821784
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106304510
6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 80984753
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 114598698
2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine
CID 80798310
6-N,2-diethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80935263
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239786
5-bromo-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974331
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 60754232

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 80821782) is 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCc2nncn2C)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is OKNDRLCOUCTFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-4-12-10-8(2)11(15-6-14-10)13-5-9-17-16-7-18(9)3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80821782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).