1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C15H20N6O3 — CID 56901457

IUPAC1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(c2cc(NCCO)ncn2)CC1
InChIInChI=1S/C15H20N6O3/c22-9-5-16-12-10-13(18-11-17-12)20-7-2-15(3-8-20,14(23)24)21-6-1-4-19-21/h1,4,6,10-11,22H,2-3,5,7-9H2,(H,23,24)(H,16,17,18)
InChIKeySOSKKDXOHSWUET-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.16
Rot. Bonds6

About 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56901457) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56901457
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(c2cc(NCCO)ncn2)CC1
InChIInChI=1S/C15H20N6O3/c22-9-5-16-12-10-13(18-11-17-12)20-7-2-15(3-8-20,14(23)24)21-6-1-4-19-21/h1,4,6,10-11,22H,2-3,5,7-9H2,(H,23,24)(H,16,17,18)
InChIKeySOSKKDXOHSWUET-UHFFFAOYSA-N
XLogP0.16
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56883865
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-phenoxypiperidine-4-carboxylic acid
CID 56915236
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
6-piperidin-1-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 133280938
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
CID 156603350
2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 56752776
(4-chlorophenyl)-[(3S)-1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 95564096
2-methyl-N-[3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propyl]propanamide
CID 100650371
[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 56863825
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192683
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56901457) is 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2cccn2)CCN(c2cc(NCCO)ncn2)CC1.
What is the InChIKey of 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is SOSKKDXOHSWUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c22-9-5-16-12-10-13(18-11-17-12)20-7-2-15(3-8-20,14(23)24)21-6-1-4-19-21/h1,4,6,10-11,22H,2-3,5,7-9H2,(H,23,24)(H,16,17,18).
What are the key properties of 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56901457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).