2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol

C13H25N5O — CID 80808361

IUPAC2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
SMILESCCCCN(CCO)c1cc(NCCC)nc(N)n1
InChIInChI=1S/C13H25N5O/c1-3-5-7-18(8-9-19)12-10-11(15-6-4-2)16-13(14)17-12/h10,19H,3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyCJVPIBHVTYBTRM-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.48
Rot. Bonds9

About 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol

2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol (PubChem CID 80808361) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
PubChem CID80808361
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
SMILESCCCCN(CCO)c1cc(NCCC)nc(N)n1
InChIInChI=1S/C13H25N5O/c1-3-5-7-18(8-9-19)12-10-11(15-6-4-2)16-13(14)17-12/h10,19H,3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyCJVPIBHVTYBTRM-UHFFFAOYSA-N
XLogP1.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961548
2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol
CID 80808960
2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102717771
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
CID 80797618
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80850604
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
CID 102998829

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol?
The IUPAC name of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol (CID 80808361) is 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol is CCCCN(CCO)c1cc(NCCC)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol?
The InChIKey is CJVPIBHVTYBTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-5-7-18(8-9-19)12-10-11(15-6-4-2)16-13(14)17-12/h10,19H,3-9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol?
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol has a molecular weight of 267.38 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol is sourced from PubChem (CID 80808361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).