3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol

C13H25N5O2 — CID 106149849

IUPAC3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCNc1nc(NCC(C)(C)CCO)nc(OC(C)C)n1
InChIInChI=1S/C13H25N5O2/c1-9(2)20-12-17-10(14-5)16-11(18-12)15-8-13(3,4)6-7-19/h9,19H,6-8H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyXHRKYOSEINZFPF-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.52
Rot. Bonds8

About 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol

3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 106149849) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID106149849
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCNc1nc(NCC(C)(C)CCO)nc(OC(C)C)n1
InChIInChI=1S/C13H25N5O2/c1-9(2)20-12-17-10(14-5)16-11(18-12)15-8-13(3,4)6-7-19/h9,19H,6-8H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyXHRKYOSEINZFPF-UHFFFAOYSA-N
XLogP1.52
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149830
2-methyl-1-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106296430
2-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827070
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 113244350
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
4-N-methyl-6-propan-2-yloxy-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80790857
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056
N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115943139
4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 114102497
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890838
N'-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 80911884

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 106149849) is 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol is CNc1nc(NCC(C)(C)CCO)nc(OC(C)C)n1.
What is the InChIKey of 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is XHRKYOSEINZFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-9(2)20-12-17-10(14-5)16-11(18-12)15-8-13(3,4)6-7-19/h9,19H,6-8H2,1-5H3,(H2,14,15,16,17,18).
What are the key properties of 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 283.38 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 106149849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).