2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one

C19H20N6O3 — CID 126706755

IUPAC2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one
SMILESCC1(C)C(=O)NCCN1c1ncc(-c2cccc(Nc3nccc(=O)[nH]3)c2)o1
InChIInChI=1S/C19H20N6O3/c1-19(2)16(27)20-8-9-25(19)18-22-11-14(28-18)12-4-3-5-13(10-12)23-17-21-7-6-15(26)24-17/h3-7,10-11H,8-9H2,1-2H3,(H,20,27)(H2,21,23,24,26)
InChIKeyQLKPCABJYMTUTP-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.88
Rot. Bonds4

About 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one

2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one (PubChem CID 126706755) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one
PubChem CID126706755
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one
SMILESCC1(C)C(=O)NCCN1c1ncc(-c2cccc(Nc3nccc(=O)[nH]3)c2)o1
InChIInChI=1S/C19H20N6O3/c1-19(2)16(27)20-8-9-25(19)18-22-11-14(28-18)12-4-3-5-13(10-12)23-17-21-7-6-15(26)24-17/h3-7,10-11H,8-9H2,1-2H3,(H,20,27)(H2,21,23,24,26)
InChIKeyQLKPCABJYMTUTP-UHFFFAOYSA-N
XLogP1.88
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one (CID 126706755) is 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one is CC1(C)C(=O)NCCN1c1ncc(-c2cccc(Nc3nccc(=O)[nH]3)c2)o1.
What is the InChIKey of 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one?
The InChIKey is QLKPCABJYMTUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-19(2)16(27)20-8-9-25(19)18-22-11-14(28-18)12-4-3-5-13(10-12)23-17-21-7-6-15(26)24-17/h3-7,10-11H,8-9H2,1-2H3,(H,20,27)(H2,21,23,24,26).
What are the key properties of 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one?
2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one has a molecular weight of 380.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-oxazol-5-yl]anilino]-1H-pyrimidin-6-one is sourced from PubChem (CID 126706755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).