4-(propoxymethyl)-1,3,5-triazin-2-amine

C7H12N4O — CID 54569130

IUPAC4-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1ncnc(N)n1
InChIInChI=1S/C7H12N4O/c1-2-3-12-4-6-9-5-10-7(8)11-6/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyZVZKMTNCILCABE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.38
Rot. Bonds4

About 4-(propoxymethyl)-1,3,5-triazin-2-amine

4-(propoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 54569130) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(propoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(propoxymethyl)-1,3,5-triazin-2-amine
PubChem CID54569130
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1ncnc(N)n1
InChIInChI=1S/C7H12N4O/c1-2-3-12-4-6-9-5-10-7(8)11-6/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyZVZKMTNCILCABE-UHFFFAOYSA-N
XLogP0.38
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(Methoxymethyl)-1,3,5-triazine
CID 23080878
4-(2,2,2-Trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476930
4-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476931
6-(methoxymethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 129934264
6-(Methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 10844617
2-(1-Methoxyethyl)-1,3,5-triazine
CID 17836376
2-Methoxy-4-(methoxymethyl)-1,3,5-triazine
CID 53681113
4-[(2-Methylpropan-2-yl)oxymethyl]-1,3,5-triazin-2-amine
CID 53812536
4-(Propan-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 53822668
(4-Amino-1,3,5-triazin-2-yl)methanol
CID 53923139
4-(2-Methylpropoxymethyl)-1,3,5-triazin-2-amine
CID 53946457
4-(Butoxymethyl)-1,3,5-triazin-2-amine
CID 53966272

Frequently Asked Questions

What is the IUPAC name of 4-(propoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(propoxymethyl)-1,3,5-triazin-2-amine (CID 54569130) is 4-(propoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(propoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(propoxymethyl)-1,3,5-triazin-2-amine is CCCOCc1ncnc(N)n1.
What is the InChIKey of 4-(propoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZVZKMTNCILCABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-3-12-4-6-9-5-10-7(8)11-6/h5H,2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-(propoxymethyl)-1,3,5-triazin-2-amine?
4-(propoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 168.20 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 54569130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).