4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine

C8H12N4O — CID 657559

IUPAC4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(C)nc(OC)n1
InChIInChI=1S/C8H12N4O/c1-4-5-9-7-10-6(2)11-8(12-7)13-3/h4H,1,5H2,2-3H3,(H,9,10,11,12)
InChIKeyCHYIHEFDRMNERM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.79
Rot. Bonds4

About 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine

4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 657559) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID657559
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(C)nc(OC)n1
InChIInChI=1S/C8H12N4O/c1-4-5-9-7-10-6(2)11-8(12-7)13-3/h4H,1,5H2,2-3H3,(H,9,10,11,12)
InChIKeyCHYIHEFDRMNERM-UHFFFAOYSA-N
XLogP0.79
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 5304492
CID 2056339
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006219
6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 130008702
2-Ethylamino-4-methoxy-6-methyl-1,3,5-triazine
CID 27858
6-methyl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 33384
N-Ethyl-N'-(2-propenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 33821
4-chloro-N-prop-2-enyl-6-propyl-1,3,5-triazin-2-amine
CID 20321385
4-chloro-6-ethyl-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20321387
2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 22605178

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 657559) is 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(C)nc(OC)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is CHYIHEFDRMNERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-4-5-9-7-10-6(2)11-8(12-7)13-3/h4H,1,5H2,2-3H3,(H,9,10,11,12).
What are the key properties of 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 180.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 657559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).