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

C13H23N3O3 — CID 106257562

IUPAC1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCOc1cc(NCC(C)(O)CCOC)nc(C)n1
InChIInChI=1S/C13H23N3O3/c1-5-19-12-8-11(15-10(2)16-12)14-9-13(3,17)6-7-18-4/h8,17H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyPKJJCTGWBBBXCJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.38
Rot. Bonds8

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

1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106257562) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106257562
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCOc1cc(NCC(C)(O)CCOC)nc(C)n1
InChIInChI=1S/C13H23N3O3/c1-5-19-12-8-11(15-10(2)16-12)14-9-13(3,17)6-7-18-4/h8,17H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyPKJJCTGWBBBXCJ-UHFFFAOYSA-N
XLogP1.38
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 66327344
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257910
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115
N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine
CID 113434162
1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257948
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256542
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetamide
CID 66325856
1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254505
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66326521

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106257562) is 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is CCOc1cc(NCC(C)(O)CCOC)nc(C)n1.
What is the InChIKey of 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is PKJJCTGWBBBXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-19-12-8-11(15-10(2)16-12)14-9-13(3,17)6-7-18-4/h8,17H,5-7,9H2,1-4H3,(H,14,15,16).
What are the key properties of 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106257562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).