4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C15H19ClN4O — CID 62864367

IUPAC4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(Cl)nc(OC(C)C)n1)c1ccccc1
InChIInChI=1S/C15H19ClN4O/c1-4-12(11-8-6-5-7-9-11)17-14-18-13(16)19-15(20-14)21-10(2)3/h5-10,12H,4H2,1-3H3,(H,17,18,19,20)
InChIKeyKURLLGSBJNKPCT-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.88
Rot. Bonds6

About 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62864367) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62864367
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(Cl)nc(OC(C)C)n1)c1ccccc1
InChIInChI=1S/C15H19ClN4O/c1-4-12(11-8-6-5-7-9-11)17-14-18-13(16)19-15(20-14)21-10(2)3/h5-10,12H,4H2,1-3H3,(H,17,18,19,20)
InChIKeyKURLLGSBJNKPCT-UHFFFAOYSA-N
XLogP3.88
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106196358
4-chloro-N-[1-(2-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863071
4-chloro-N-(3-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863715
4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63550284
4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 113499303
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863657
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62863572
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62864367) is 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCC(Nc1nc(Cl)nc(OC(C)C)n1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is KURLLGSBJNKPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-12(11-8-6-5-7-9-11)17-14-18-13(16)19-15(20-14)21-10(2)3/h5-10,12H,4H2,1-3H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).