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

C7H9ClN4O — CID 20516

IUPAC4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C7H9ClN4O/c1-3-4-9-6-10-5(8)11-7(12-6)13-2/h3H,1,4H2,2H3,(H,9,10,11,12)
InChIKeyPAVRKDSOWUZWHF-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.13
Rot. Bonds4

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

4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 20516) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID20516
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C7H9ClN4O/c1-3-4-9-6-10-5(8)11-7(12-6)13-2/h3H,1,4H2,2H3,(H,9,10,11,12)
InChIKeyPAVRKDSOWUZWHF-UHFFFAOYSA-N
XLogP1.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.13
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,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 5304492
CID 2056339
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 44725283
2,4,6-Triallylamino-sym-triazine
CID 35080
4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006210
4-chloro-6-[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 19006215
4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 19006223
4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine
CID 88719283
4-chloro-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 141655646

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 20516) is 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(Cl)nc(OC)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is PAVRKDSOWUZWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-3-4-9-6-10-5(8)11-7(12-6)13-2/h3H,1,4H2,2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 200.63 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 20516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).