[4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C21H26N6O3 — CID 91952563

IUPAC[4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCN(C)c1ncc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(-c2cccnc2)n1
InChIInChI=1S/C21H26N6O3/c1-25(2)21-23-14-16(18(24-21)15-5-3-7-22-13-15)19(28)26-8-10-27(11-9-26)20(29)17-6-4-12-30-17/h3,5,7,13-14,17H,4,6,8-12H2,1-2H3
InChIKeyOWUBAAMLHYMQIY-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.07
Rot. Bonds4

About [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 91952563) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID91952563
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name[4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCN(C)c1ncc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(-c2cccnc2)n1
InChIInChI=1S/C21H26N6O3/c1-25(2)21-23-14-16(18(24-21)15-5-3-7-22-13-15)19(28)26-8-10-27(11-9-26)20(29)17-6-4-12-30-17/h3,5,7,13-14,17H,4,6,8-12H2,1-2H3
InChIKeyOWUBAAMLHYMQIY-UHFFFAOYSA-N
XLogP1.07
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91953490
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144884
oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 47024168
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134059948
[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55522948
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
[(2R)-oxolan-2-yl]-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 126454402
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 78844521
4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855628

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 91952563) is [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is CN(C)c1ncc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c(-c2cccnc2)n1.
What is the InChIKey of [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is OWUBAAMLHYMQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-25(2)21-23-14-16(18(24-21)15-5-3-7-22-13-15)19(28)26-8-10-27(11-9-26)20(29)17-6-4-12-30-17/h3,5,7,13-14,17H,4,6,8-12H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 410.48 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 91952563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).