4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine

C13H19ClN4O — CID 62865328

IUPAC4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC(C2CC2)C2CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-2-7-19-13-17-11(14)16-12(18-13)15-10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyHZMDOBZPKHGWJR-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.91
Rot. Bonds7

About 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62865328) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62865328
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC(C2CC2)C2CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-2-7-19-13-17-11(14)16-12(18-13)15-10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyHZMDOBZPKHGWJR-UHFFFAOYSA-N
XLogP2.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
4-chloro-N-pent-4-yn-2-yl-6-propoxy-1,3,5-triazin-2-amine
CID 106196004
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781052
4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 64742173
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
N-(dicyclopropylmethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 55136076
4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 63924174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine (CID 62865328) is 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NC(C2CC2)C2CC2)n1.
What is the InChIKey of 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is HZMDOBZPKHGWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-2-7-19-13-17-11(14)16-12(18-13)15-10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 282.77 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).