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

C11H17N7O — CID 106304492

IUPAC4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
SMILESCCn1cnnc1CNc1ncnc(NC)c1OC
InChIInChI=1S/C11H17N7O/c1-4-18-7-16-17-8(18)5-13-11-9(19-3)10(12-2)14-6-15-11/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyZXRVGUIWSGQKAY-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.75
Rot. Bonds6

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

4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine (PubChem CID 106304492) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
PubChem CID106304492
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
SMILESCCn1cnnc1CNc1ncnc(NC)c1OC
InChIInChI=1S/C11H17N7O/c1-4-18-7-16-17-8(18)5-13-11-9(19-3)10(12-2)14-6-15-11/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyZXRVGUIWSGQKAY-UHFFFAOYSA-N
XLogP0.75
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methoxy-5-nitropyrimidin-4-amine
CID 106303488
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106304510
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113231446
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106304573
4-chloro-6-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 114170948
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730495
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
4-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82747168
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 106544213
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 106303319
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 106304442
5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 106303918

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine (CID 106304492) is 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine is CCn1cnnc1CNc1ncnc(NC)c1OC.
What is the InChIKey of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is ZXRVGUIWSGQKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-4-18-7-16-17-8(18)5-13-11-9(19-3)10(12-2)14-6-15-11/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 263.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 106304492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).