2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol

C13H24N4O2 — CID 106311493

IUPAC2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
SMILESCCCc1nc(N)c(C)c(NCCCOCCO)n1
InChIInChI=1S/C13H24N4O2/c1-3-5-11-16-12(14)10(2)13(17-11)15-6-4-8-19-9-7-18/h18H,3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyRCXODDYOBXYLFJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.13
Rot. Bonds9

About 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol

2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol (PubChem CID 106311493) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
PubChem CID106311493
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
SMILESCCCc1nc(N)c(C)c(NCCCOCCO)n1
InChIInChI=1S/C13H24N4O2/c1-3-5-11-16-12(14)10(2)13(17-11)15-6-4-8-19-9-7-18/h18H,3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyRCXODDYOBXYLFJ-UHFFFAOYSA-N
XLogP1.13
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311687
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
CID 106311467
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol (CID 106311493) is 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol is CCCc1nc(N)c(C)c(NCCCOCCO)n1.
What is the InChIKey of 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol?
The InChIKey is RCXODDYOBXYLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-5-11-16-12(14)10(2)13(17-11)15-6-4-8-19-9-7-18/h18H,3-9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol?
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol has a molecular weight of 268.36 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol is sourced from PubChem (CID 106311493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).