1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid

C14H22N4O3 — CID 156603350

IUPAC1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1CN(c2cc(NCCO)ncn2)CC1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-2-3-10-7-18(8-11(10)14(20)21)13-6-12(15-4-5-19)16-9-17-13/h6,9-11,19H,2-5,7-8H2,1H3,(H,20,21)(H,15,16,17)
InChIKeyLARJDZPIMFNZJE-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.82
Rot. Bonds7

About 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid

1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 156603350) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
PubChem CID156603350
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1CN(c2cc(NCCO)ncn2)CC1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-2-3-10-7-18(8-11(10)14(20)21)13-6-12(15-4-5-19)16-9-17-13/h6,9-11,19H,2-5,7-8H2,1H3,(H,20,21)(H,15,16,17)
InChIKeyLARJDZPIMFNZJE-UHFFFAOYSA-N
XLogP0.82
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
(3S,4S)-1-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063835
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192683
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
(3S,4S)-4-propyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 70787983
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56901457
N-butyl-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102904
(4-chlorophenyl)-[(3S)-1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 95564096

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid (CID 156603350) is 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid is CCCC1CN(c2cc(NCCO)ncn2)CC1C(=O)O.
What is the InChIKey of 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is LARJDZPIMFNZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-3-10-7-18(8-11(10)14(20)21)13-6-12(15-4-5-19)16-9-17-13/h6,9-11,19H,2-5,7-8H2,1H3,(H,20,21)(H,15,16,17).
What are the key properties of 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid?
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 156603350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).