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

C13H23ClN4O — CID 83144392

IUPAC4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C13H23ClN4O/c1-6-7-19-12-17-10(14)16-11(18-12)15-8-9(2)13(3,4)5/h9H,6-8H2,1-5H3,(H,15,16,17,18)
InChIKeySANQQJJJROZTOP-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.41
Rot. Bonds6

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

4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine (PubChem CID 83144392) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
PubChem CID83144392
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C13H23ClN4O/c1-6-7-19-12-17-10(14)16-11(18-12)15-8-9(2)13(3,4)5/h9H,6-8H2,1-5H3,(H,15,16,17,18)
InChIKeySANQQJJJROZTOP-UHFFFAOYSA-N
XLogP3.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107817648
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66172881
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279495
4-chloro-N-pent-4-yn-2-yl-6-propoxy-1,3,5-triazin-2-amine
CID 106196004
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62862613
4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858555
N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 106195557
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine (CID 83144392) is 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCC(C)C(C)(C)C)n1.
What is the InChIKey of 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine?
The InChIKey is SANQQJJJROZTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-6-7-19-12-17-10(14)16-11(18-12)15-8-9(2)13(3,4)5/h9H,6-8H2,1-5H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine?
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine has a molecular weight of 286.81 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83144392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).