4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H19ClN4O — CID 114101580

IUPAC4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCC1(CNc2nc(Cl)nc(OC(C)C)n2)CC1
InChIInChI=1S/C12H19ClN4O/c1-4-12(5-6-12)7-14-10-15-9(13)16-11(17-10)18-8(2)3/h8H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyAAMHWYHPCHVTOU-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.91
Rot. Bonds6

About 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 114101580) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID114101580
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCC1(CNc2nc(Cl)nc(OC(C)C)n2)CC1
InChIInChI=1S/C12H19ClN4O/c1-4-12(5-6-12)7-14-10-15-9(13)16-11(17-10)18-8(2)3/h8H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyAAMHWYHPCHVTOU-UHFFFAOYSA-N
XLogP2.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine
CID 114109143
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865015
4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 114102497
[1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol
CID 115366569
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 114101578
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067
4-chloro-N-(3-methylsulfonylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863284
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106405346
4-chloro-N-hex-5-ynyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106214554
4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106197331

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 114101580) is 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCC1(CNc2nc(Cl)nc(OC(C)C)n2)CC1.
What is the InChIKey of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is AAMHWYHPCHVTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-12(5-6-12)7-14-10-15-9(13)16-11(17-10)18-8(2)3/h8H,4-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.91, 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-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114101580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).