[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone

C19H24N4O3 — CID 56863825

IUPAC[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCN(c3cc(NCCO)ncn3)C2)c1
InChIInChI=1S/C19H24N4O3/c1-26-16-6-2-4-14(10-16)19(25)15-5-3-8-23(12-15)18-11-17(20-7-9-24)21-13-22-18/h2,4,6,10-11,13,15,24H,3,5,7-9,12H2,1H3,(H,20,21,22)
InChIKeyFZRVPYCWVPBBHP-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.99
Rot. Bonds7

About [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone

[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 56863825) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID56863825
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCN(c3cc(NCCO)ncn3)C2)c1
InChIInChI=1S/C19H24N4O3/c1-26-16-6-2-4-14(10-16)19(25)15-5-3-8-23(12-15)18-11-17(20-7-9-24)21-13-22-18/h2,4,6,10-11,13,15,24H,3,5,7-9,12H2,1H3,(H,20,21,22)
InChIKeyFZRVPYCWVPBBHP-UHFFFAOYSA-N
XLogP1.99
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chlorophenyl)-[(3S)-1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 95564096
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
N-(3-methoxyphenyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 53174306
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propan-1-one
CID 53174253
N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520628
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 102563230
[(2S)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763919
[(2R)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763918
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 84590457
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone (CID 56863825) is [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CCCN(c3cc(NCCO)ncn3)C2)c1.
What is the InChIKey of [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is FZRVPYCWVPBBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-16-6-2-4-14(10-16)19(25)15-5-3-8-23(12-15)18-11-17(20-7-9-24)21-13-22-18/h2,4,6,10-11,13,15,24H,3,5,7-9,12H2,1H3,(H,20,21,22).
What are the key properties of [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone?
[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 356.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 56863825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).