4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine

C5H7ClN4O — CID 91077565

IUPAC4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine
SMILESCOCc1nc(N)nc(Cl)n1
InChIInChI=1S/C5H7ClN4O/c1-11-2-3-8-4(6)10-5(7)9-3/h2H2,1H3,(H2,7,8,9,10)
InChIKeyGIMTWJMCDACVEJ-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.25
Rot. Bonds2

About 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine

4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 91077565) has the molecular formula C5H7ClN4O and a molecular weight of 174.59 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine
PubChem CID91077565
Molecular FormulaC5H7ClN4O
Molecular Weight174.59 g/mol
Exact Mass174.03
IUPAC Name4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine
SMILESCOCc1nc(N)nc(Cl)n1
InChIInChI=1S/C5H7ClN4O/c1-11-2-3-8-4(6)10-5(7)9-3/h2H2,1H3,(H2,7,8,9,10)
InChIKeyGIMTWJMCDACVEJ-UHFFFAOYSA-N
XLogP0.25
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethoxy-6-methyl-1,3,5-triazin-2-amine
CID 77490
(4,6-Diamino-1,3,5-triazin-2-yl)methanol
CID 10630590
6-(Dimethoxymethyl)-1,3,5-triazine-2,4-diamine
CID 129933458
(4-Amino-6-methoxy-1,3,5-triazin-2-yl)methanol
CID 180026
4-Chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103213748
4-Methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476928
6-(2,2,2-Trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine
CID 104932534
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
6-(1-Methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 20233183
2,4-Dichloro-6-(1-methoxyethyl)-1,3,5-triazine
CID 22481950
4-(Methoxymethyl)-1,3,5-triazin-2-amine
CID 54305662

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine (CID 91077565) is 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine is COCc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is GIMTWJMCDACVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4O/c1-11-2-3-8-4(6)10-5(7)9-3/h2H2,1H3,(H2,7,8,9,10).
What are the key properties of 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 174.59 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 91077565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).