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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Related Compounds

(R)-2-(4-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585776
(R)-2-(2-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54586765
2-(2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54587789
2-(4-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585778
2-Methyl-6-morpholinopyrimidin-4-amine
CID 32800029
2-[(2-Amino-6-fluoropyrimidin-4-yl)amino]ethanol
CID 3776070
(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50978922
(2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
CID 97245516
2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
CID 171359600
(4-(Tert-butylamino)-6-fluoropyrimidin-2-yl)methanol
CID 118936922
N4,N4-diethyl-2-methylpyrimidine-4,6-diamine
CID 57108286
6-N-methyl-2-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80959621

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).