4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol

C10H17N3O2 — CID 103703344

IUPAC4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1ccnc(C)n1
InChIInChI=1S/C10H17N3O2/c1-8-11-5-3-10(12-8)13-9(4-6-14)7-15-2/h3,5,9,14H,4,6-7H2,1-2H3,(H,11,12,13)
InChIKeyBXEDIVMEPZGFPM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.59
Rot. Bonds6

About 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol

4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 103703344) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID103703344
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1ccnc(C)n1
InChIInChI=1S/C10H17N3O2/c1-8-11-5-3-10(12-8)13-9(4-6-14)7-15-2/h3,5,9,14H,4,6-7H2,1-2H3,(H,11,12,13)
InChIKeyBXEDIVMEPZGFPM-UHFFFAOYSA-N
XLogP0.59
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol
CID 106157813
(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923
3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106198786
3-[(2-hydrazinyl-4-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106163580
1-[(4-hydroxy-1-methoxybutan-2-yl)amino]isoquinolin-7-ol
CID 106157913
3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604
4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
CID 106162039
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113239941

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol (CID 103703344) is 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol is COCC(CCO)Nc1ccnc(C)n1.
What is the InChIKey of 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is BXEDIVMEPZGFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-11-5-3-10(12-8)13-9(4-6-14)7-15-2/h3,5,9,14H,4,6-7H2,1-2H3,(H,11,12,13).
What are the key properties of 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol?
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 103703344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).