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

C14H26N4O2 — CID 106311467

IUPAC2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
SMILESCCCc1nc(NCC)cc(NCCCOCCO)n1
InChIInChI=1S/C14H26N4O2/c1-3-6-12-17-13(15-4-2)11-14(18-12)16-7-5-9-20-10-8-19/h11,19H,3-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyOMSRXQMAWJYMRQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.67
Rot. Bonds11

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

2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol (PubChem CID 106311467) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
PubChem CID106311467
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
SMILESCCCc1nc(NCC)cc(NCCCOCCO)n1
InChIInChI=1S/C14H26N4O2/c1-3-6-12-17-13(15-4-2)11-14(18-12)16-7-5-9-20-10-8-19/h11,19H,3-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyOMSRXQMAWJYMRQ-UHFFFAOYSA-N
XLogP1.67
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.67
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

2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825945
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241808
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311493
2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82947715
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80937148
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80967735
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol?
The IUPAC name of 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol (CID 106311467) is 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol is CCCc1nc(NCC)cc(NCCCOCCO)n1.
What is the InChIKey of 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol?
The InChIKey is OMSRXQMAWJYMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-6-12-17-13(15-4-2)11-14(18-12)16-7-5-9-20-10-8-19/h11,19H,3-10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol?
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol has a molecular weight of 282.39 g/mol, XLogP of 1.67, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol is sourced from PubChem (CID 106311467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).