2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol

C13H23N3O3 — CID 134569147

IUPAC2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCC(CO)Nc1nc(C)ncc1OCCOC
InChIInChI=1S/C13H23N3O3/c1-4-5-11(9-17)16-13-12(19-7-6-18-3)8-14-10(2)15-13/h8,11,17H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyYJPASAVNPGIFPU-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.38
Rot. Bonds9

About 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol

2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 134569147) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol
PubChem CID134569147
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCC(CO)Nc1nc(C)ncc1OCCOC
InChIInChI=1S/C13H23N3O3/c1-4-5-11(9-17)16-13-12(19-7-6-18-3)8-14-10(2)15-13/h8,11,17H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyYJPASAVNPGIFPU-UHFFFAOYSA-N
XLogP1.38
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(hexan-3-ylamino)-2-methylpyrimidine-5-carboxylate
CID 114214345
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
(2S)-2-[[5-[3-(1,3-benzodioxol-5-yl)propoxy]-2-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 135252928
2-[[5-(3-methoxypropyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 135229110
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
(2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 134569028
(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
CID 135252916
(2S)-2-[[2-amino-5-[(3-methoxy-2,4-dimethylphenyl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 160692279
2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 155429580
2-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 135229115
5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine
CID 126699792
(2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol
CID 134568988

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol (CID 134569147) is 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol is CCCC(CO)Nc1nc(C)ncc1OCCOC.
What is the InChIKey of 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is YJPASAVNPGIFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-5-11(9-17)16-13-12(19-7-6-18-3)8-14-10(2)15-13/h8,11,17H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol?
2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 134569147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).