2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

C14H26N4O — CID 80961040

IUPAC2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-5-11(6-2)18(7-8-19)13-9-12(15)16-14(17-13)10(3)4/h9-11,19H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyYKSWDKQGUMPJDY-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.17
Rot. Bonds7

About 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 80961040) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID80961040
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-5-11(6-2)18(7-8-19)13-9-12(15)16-14(17-13)10(3)4/h9-11,19H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyYKSWDKQGUMPJDY-UHFFFAOYSA-N
XLogP2.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 80961040) is 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1cc(N)nc(C(C)C)n1.
What is the InChIKey of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is YKSWDKQGUMPJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-11(6-2)18(7-8-19)13-9-12(15)16-14(17-13)10(3)4/h9-11,19H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 266.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80961040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).