3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol

C13H23N3O2 — CID 106177835

IUPAC3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCOc1ncnc(NC(C)(CC)CCO)c1C
InChIInChI=1S/C13H23N3O2/c1-5-13(4,7-8-17)16-11-10(3)12(18-6-2)15-9-14-11/h9,17H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyCEURDRHJZLPONN-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.15
Rot. Bonds7

About 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol

3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol (PubChem CID 106177835) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
PubChem CID106177835
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCOc1ncnc(NC(C)(CC)CCO)c1C
InChIInChI=1S/C13H23N3O2/c1-5-13(4,7-8-17)16-11-10(3)12(18-6-2)15-9-14-11/h9,17H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyCEURDRHJZLPONN-UHFFFAOYSA-N
XLogP2.15
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 66327907
N-(1-chloro-2-methylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66325154
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate
CID 66326164
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol (CID 106177835) is 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol is CCOc1ncnc(NC(C)(CC)CCO)c1C.
What is the InChIKey of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The InChIKey is CEURDRHJZLPONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-13(4,7-8-17)16-11-10(3)12(18-6-2)15-9-14-11/h9,17H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol?
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106177835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).