4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine

C9H13ClN4O — CID 62857312

IUPAC4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC(C)C2CC2)n1
InChIInChI=1S/C9H13ClN4O/c1-5(6-3-4-6)11-8-12-7(10)13-9(14-8)15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyKDPVORCQMVRQCJ-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.74
Rot. Bonds4

About 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62857312) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62857312
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC(C)C2CC2)n1
InChIInChI=1S/C9H13ClN4O/c1-5(6-3-4-6)11-8-12-7(10)13-9(14-8)15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyKDPVORCQMVRQCJ-UHFFFAOYSA-N
XLogP1.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine (CID 62857312) is 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NC(C)C2CC2)n1.
What is the InChIKey of 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is KDPVORCQMVRQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-5(6-3-4-6)11-8-12-7(10)13-9(14-8)15-2/h5-6H,3-4H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 228.68 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclopropylethyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62857312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).