3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol

C12H23N5O2 — CID 106198615

IUPAC3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCCCOc1nc(N)nc(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C12H23N5O2/c1-6-7-19-10-15-8(13)14-9(16-10)17-11(2,3)12(4,5)18/h18H,6-7H2,1-5H3,(H3,13,14,15,16,17)
InChIKeyXYLGJCPWDZXQGI-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.20
Rot. Bonds6

About 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol

3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198615) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106198615
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCCCOc1nc(N)nc(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C12H23N5O2/c1-6-7-19-10-15-8(13)14-9(16-10)17-11(2,3)12(4,5)18/h18H,6-7H2,1-5H3,(H3,13,14,15,16,17)
InChIKeyXYLGJCPWDZXQGI-UHFFFAOYSA-N
XLogP1.20
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80778025
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol (CID 106198615) is 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol is CCCOc1nc(N)nc(NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is XYLGJCPWDZXQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-6-7-19-10-15-8(13)14-9(16-10)17-11(2,3)12(4,5)18/h18H,6-7H2,1-5H3,(H3,13,14,15,16,17).
What are the key properties of 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 269.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).