N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine

C13H21ClN4O — CID 62863220

IUPACN-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCN(c1nc(Cl)nc(OCCC)n1)C1CC1
InChIInChI=1S/C13H21ClN4O/c1-3-5-8-18(10-6-7-10)12-15-11(14)16-13(17-12)19-9-4-2/h10H,3-9H2,1-2H3
InChIKeyBOCNBYBRQGAJLD-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.08
Rot. Bonds8

About N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine

N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62863220) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62863220
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC NameN-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCN(c1nc(Cl)nc(OCCC)n1)C1CC1
InChIInChI=1S/C13H21ClN4O/c1-3-5-8-18(10-6-7-10)12-15-11(14)16-13(17-12)19-9-4-2/h10H,3-9H2,1-2H3
InChIKeyBOCNBYBRQGAJLD-UHFFFAOYSA-N
XLogP3.08
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 63548216
4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 102739995
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid
CID 62857798
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80844355
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
CID 62864995
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine
CID 87307781
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79315410
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine (CID 62863220) is N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine is CCCCN(c1nc(Cl)nc(OCCC)n1)C1CC1.
What is the InChIKey of N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is BOCNBYBRQGAJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-5-8-18(10-6-7-10)12-15-11(14)16-13(17-12)19-9-4-2/h10H,3-9H2,1-2H3.
What are the key properties of N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine?
N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).