4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine

C9H13ClN4O — CID 80867584

IUPAC4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCC2CC2)n1
InChIInChI=1S/C9H13ClN4O/c1-2-11-8-12-7(10)13-9(14-8)15-5-6-3-4-6/h6H,2-5H2,1H3,(H,11,12,13,14)
InChIKeyCLIIIRQJMZZWCO-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.75
Rot. Bonds5

About 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine

4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80867584) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80867584
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCC2CC2)n1
InChIInChI=1S/C9H13ClN4O/c1-2-11-8-12-7(10)13-9(14-8)15-5-6-3-4-6/h6H,2-5H2,1H3,(H,11,12,13,14)
InChIKeyCLIIIRQJMZZWCO-UHFFFAOYSA-N
XLogP1.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
4-(cyclopropylmethoxy)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80865601
[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclohexyl]methanol
CID 171765184
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871608
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine
CID 102608799
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine (CID 80867584) is 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(OCC2CC2)n1.
What is the InChIKey of 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is CLIIIRQJMZZWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-2-11-8-12-7(10)13-9(14-8)15-5-6-3-4-6/h6H,2-5H2,1H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 228.68 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).