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

C12H23N5O2 — CID 106150044

IUPAC5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCOc1nc(N)nc(NCC(C)(C)CCCO)n1
InChIInChI=1S/C12H23N5O2/c1-4-19-11-16-9(13)15-10(17-11)14-8-12(2,3)6-5-7-18/h18H,4-8H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyBBUMMAKPTHQYRI-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.06
Rot. Bonds8

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

5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106150044) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106150044
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCOc1nc(N)nc(NCC(C)(C)CCCO)n1
InChIInChI=1S/C12H23N5O2/c1-4-19-11-16-9(13)15-10(17-11)14-8-12(2,3)6-5-7-18/h18H,4-8H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyBBUMMAKPTHQYRI-UHFFFAOYSA-N
XLogP1.06
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150060
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149830
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106141224
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149742
5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol (CID 106150044) is 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol is CCOc1nc(N)nc(NCC(C)(C)CCCO)n1.
What is the InChIKey of 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is BBUMMAKPTHQYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-19-11-16-9(13)15-10(17-11)14-8-12(2,3)6-5-7-18/h18H,4-8H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 269.35 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106150044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).