3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol

C11H19N3O — CID 106287831

IUPAC3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNc1ccncn1
InChIInChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-13-11-5-6-12-8-14-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,12,13,14)
InChIKeyAWUZBLQYBAYLNM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds6

About 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol

3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol (PubChem CID 106287831) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
PubChem CID106287831
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNc1ccncn1
InChIInChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-13-11-5-6-12-8-14-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,12,13,14)
InChIKeyAWUZBLQYBAYLNM-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
CID 106286880
(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol
CID 129377877
2-[(pyrimidin-4-ylamino)methyl]butanoic acid
CID 65226291
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
ethane;N-ethylpyrimidin-4-amine
CID 167491074
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol
CID 69126945
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
CID 106287196

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol (CID 106287831) is 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol is CCC(CC)C(O)CNc1ccncn1.
What is the InChIKey of 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol?
The InChIKey is AWUZBLQYBAYLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-13-11-5-6-12-8-14-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol?
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol is sourced from PubChem (CID 106287831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).