2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol

C12H21N3O2 — CID 66327907

IUPAC2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCOc1ncnc(NC(C)(CC)CO)c1C
InChIInChI=1S/C12H21N3O2/c1-5-12(4,7-16)15-10-9(3)11(17-6-2)14-8-13-10/h8,16H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyCTVHDTMNLGSSRK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.76
Rot. Bonds6

About 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol

2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 66327907) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID66327907
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCOc1ncnc(NC(C)(CC)CO)c1C
InChIInChI=1S/C12H21N3O2/c1-5-12(4,7-16)15-10-9(3)11(17-6-2)14-8-13-10/h8,16H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyCTVHDTMNLGSSRK-UHFFFAOYSA-N
XLogP1.76
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106177835
N-(1-chloro-2-methylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66325154
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
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate
CID 66326164
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
CID 64555655
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 66327907) is 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCOc1ncnc(NC(C)(CC)CO)c1C.
What is the InChIKey of 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is CTVHDTMNLGSSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-12(4,7-16)15-10-9(3)11(17-6-2)14-8-13-10/h8,16H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 66327907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).