2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol

C10H19N5O2 — CID 80825945

IUPAC2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCCNc1cc(NCCOCCO)nc(N)n1
InChIInChI=1S/C10H19N5O2/c1-2-12-8-7-9(15-10(11)14-8)13-3-5-17-6-4-16/h7,16H,2-6H2,1H3,(H4,11,12,13,14,15)
InChIKeyPAWQRVGKFWFRGC-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.09
Rot. Bonds8

About 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol

2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 80825945) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID80825945
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCCNc1cc(NCCOCCO)nc(N)n1
InChIInChI=1S/C10H19N5O2/c1-2-12-8-7-9(15-10(11)14-8)13-3-5-17-6-4-16/h7,16H,2-6H2,1H3,(H4,11,12,13,14,15)
InChIKeyPAWQRVGKFWFRGC-UHFFFAOYSA-N
XLogP-0.09
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80937148
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
CID 106311467
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
CID 80903582
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
2-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 106771755
6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
CID 82946500
2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241808
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol (CID 80825945) is 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol is CCNc1cc(NCCOCCO)nc(N)n1.
What is the InChIKey of 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is PAWQRVGKFWFRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-2-12-8-7-9(15-10(11)14-8)13-3-5-17-6-4-16/h7,16H,2-6H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 241.29 g/mol, XLogP of -0.09, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 80825945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).