3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol

C11H18ClN5O — CID 80855943

IUPAC3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1nc(Cl)nc(NCC2CC(O)C2)n1
InChIInChI=1S/C11H18ClN5O/c1-2-3-13-10-15-9(12)16-11(17-10)14-6-7-4-8(18)5-7/h7-8,18H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeyYTJJDAQKVAXYRV-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.53
Rot. Bonds6

About 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol

3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80855943) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80855943
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1nc(Cl)nc(NCC2CC(O)C2)n1
InChIInChI=1S/C11H18ClN5O/c1-2-3-13-10-15-9(12)16-11(17-10)14-6-7-4-8(18)5-7/h7-8,18H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeyYTJJDAQKVAXYRV-UHFFFAOYSA-N
XLogP1.53
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 66006832
3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 106138050
6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80826573
4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 80836242
3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
CID 114785534
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80850407
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 80921761
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80949592

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol (CID 80855943) is 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol is CCCNc1nc(Cl)nc(NCC2CC(O)C2)n1.
What is the InChIKey of 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is YTJJDAQKVAXYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-2-3-13-10-15-9(12)16-11(17-10)14-6-7-4-8(18)5-7/h7-8,18H,2-6H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?
3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 271.75 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80855943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).