3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol

C11H19N5O2 — CID 80856564

IUPAC3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol
SMILESCNc1nc(OC)nc(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C11H19N5O2/c1-12-9-13-10(15-11(14-9)18-3)16(2)6-7-4-8(17)5-7/h7-8,17H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyJFDCZMXQFBYQDL-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.13
Rot. Bonds5

About 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol

3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80856564) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol
PubChem CID80856564
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol
SMILESCNc1nc(OC)nc(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C11H19N5O2/c1-12-9-13-10(15-11(14-9)18-3)16(2)6-7-4-8(17)5-7/h7-8,17H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyJFDCZMXQFBYQDL-UHFFFAOYSA-N
XLogP0.13
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80797891
2-N-(cyclohexylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80800038
3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832039
6-methoxy-2-N,4-N-dimethyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796703
2-[cyclopropyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80810577
2-N,4-N-dimethyl-2-N-(oxan-3-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818463
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80813901
4,6-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 106642807
4-N-(cyclopentylmethyl)-2-N,2-N-diethyl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816084
4-(cyclopropylmethoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867582
2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835644
2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol (CID 80856564) is 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol is CNc1nc(OC)nc(N(C)CC2CC(O)C2)n1.
What is the InChIKey of 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is JFDCZMXQFBYQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-12-9-13-10(15-11(14-9)18-3)16(2)6-7-4-8(17)5-7/h7-8,17H,4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol?
3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80856564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).